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Chemical ID: 6528590

CCCCC(CC)(CCCNC(=O)c1cccc(c1)F)CNC(=O)c2cccc(c2)F

Chemical ID:

6528590

Name [?]:

N-[4-ethyl-4-[(3-fluorobenzoyl)aminomethyl]octyl]-3-fluoro-benzamide

SMILES [?]:

CCCCC(CC)(CCCNC(=O)c1cccc(c1)F)CNC(=O)c2cccc(c2)F

InChi [?]:

InChI=1/C25H32F2N2O2/c1-3-5-13-25(4-2,18-29-24(31)20-10-7-12-22(27)17-20)14-8-15-28-23(30)19-9-6-11-21(26)16-19/h6-7,9-12,16-17H,3-5,8,13-15,18H2,1-2H3,(H,28,30)(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,7,2,6,3,16,27,9,15,26,17,28,4,8,10,19,30,21,14,25,18,29,12,23,5,20,31,11,22,13,24/rA:31cCCCCCCCCCCNCOCCCCCCFCNCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s5;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s5;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₂F₂N₂O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	12.9647
Area:	705.007
Solvation:	-4.66047
Coulombic:	-53.8592

Bond Count [?]

All:	32
Single:	24
Double:	8
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	430.531
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	7.01
LogP (Chemaxon):	5.38

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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