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Chemical ID: 6016883

CC(C)CN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccco2)C(=O)c3ccccc3F

Chemical ID:

6016883

Name [?]:

2-fluoro-N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-isobutyl-benzamide

SMILES [?]:

CC(C)CN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccco2)C(=O)c3ccccc3F

InChi [?]:

InChI=1/C25H26F2N2O3/c1-18(2)14-29(25(31)22-7-3-4-8-23(22)27)17-24(30)28(16-21-6-5-13-32-21)15-19-9-11-20(26)12-10-19/h3-13,18H,14-17H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,28,29,21,20,27,30,12,16,13,15,22,4,10,18,6,2,11,14,19,26,31,7,24,17,32,9,5,8,25,23/E:(1,2)(9,10)(11,12)/rA:32nCCCCNCCONCCCCCCCFCCCCCOCOCCCCCCF/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;s18;d19;s20;d21;s19s22;s5;d24;s24;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆F₂N₂O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	8.80887
Area:	614.896
Solvation:	-6.56353
Coulombic:	-49.0491

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	440.482
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.4
LogP (Chemaxon):	4.36

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value