Chemical ID: 3906539

c1ccc(c(c1)C(C(=O)NC2CCCC2)N(c3ccccc3F)C(=O)c4ccco4)F
Chemical ID:
3906539
Name [?]:
N-[cyclopentylcarbamoyl-(2-fluorophenyl)-methyl]-N-(2-fluorophenyl)-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)C(C(=O)NC2CCCC2)N(c3ccccc3F)C(=O)c4ccco4)F
InChi [?]:
InChI=1/C24H22F2N2O3/c25-18-11-4-3-10-17(18)22(23(29)27-16-8-1-2-9-16)28(20-13-6-5-12-19(20)26)24(30)21-14-7-15-31-21/h3-7,10-16,22H,1-2,8-9H2,(H,27,29)
InChi Info:
AuxInfo=1/1/N:13,14,1,2,20,19,28,12,15,6,3,21,18,27,29,11,5,4,22,17,26,7,8,24,31,23,10,16,9,25,30/E:(1,2)(8,9)/rA:31cCCCCCCCCONCCCCCNCCCCCCFCOCCCCOF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s11s14;s7;s16;s17;d18;s19;d20;d17s21;s22;s16;d24;s24;d26;s27;d28;s26s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22F2N2O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.69847
Area:590.15
Solvation:-5.05527
Coulombic:-56.6779
Bond Count [?]
All:34
Single:24
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:424.44
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.16
LogP (Chemaxon):4.18

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Descriptor Annotations

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