Chemical ID: 3906561

Cc1ccc(cc1)N(C(c2ccccc2F)C(=O)NC3CCCC3)C(=O)c4ccco4
Chemical ID:
3906561
Name [?]:
N-[cyclopentylcarbamoyl-(2-fluorophenyl)-methyl]-N-(p-tolyl)furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)N(C(c2ccccc2F)C(=O)NC3CCCC3)C(=O)c4ccco4
InChi [?]:
InChI=1/C25H25FN2O3/c1-17-12-14-19(15-13-17)28(25(30)22-11-6-16-31-22)23(20-9-4-5-10-21(20)26)24(29)27-18-7-2-3-8-18/h4-6,9-16,18,23H,2-3,7-8H2,1H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,22,23,12,13,29,21,24,11,14,28,3,7,4,6,30,2,20,5,10,15,27,9,17,25,16,19,8,18,26,31/E:(2,3)(7,8)(12,13)(14,15)/rA:31cCCCCCCCNCCCCCCCFCONCCCCCCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s9;d17;s17;s19;s20;s21;s22;s20s23;s8;d25;s25;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25FN2O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.4141
Area:611.659
Solvation:-3.87742
Coulombic:-53.0679
Bond Count [?]
All:34
Single:24
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:420.476
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.44
LogP (Chemaxon):4.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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