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Chemical ID: 6036852

Cc1cc(c(o1)C)C(=O)N(CCC(=O)N2CCCCC2)Cc3ccc(cc3)F

Chemical ID:

6036852

Name [?]:

N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[2-(1-piperidylcarbonyl)ethyl]furan-3-carboxamide

SMILES [?]:

Cc1cc(c(o1)C)C(=O)N(CCC(=O)N2CCCCC2)Cc3ccc(cc3)F

InChi [?]:

InChI=1/C22H27FN2O3/c1-16-14-20(17(2)28-16)22(27)25(15-18-6-8-19(23)9-7-18)13-10-21(26)24-11-4-3-5-12-24/h6-9,14H,3-5,10-13,15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,7,18,17,19,23,27,24,26,12,16,20,11,3,21,2,5,22,25,4,13,8,28,15,10,14,9,6/E:(4,5)(6,7)(8,9)(11,12)/rA:28nCCCCCOCCONCCCONCCCCCCCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;s18;s15s19;s10;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₇FN₂O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2855
Area:	586.214
Solvation:	-4.36989
Coulombic:	-43.1053

Bond Count [?]

All:	30
Single:	23
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	386.46
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	2.85
LogP (Chemaxon):	2.39

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