Chemical ID: 3894124

c1ccc(cc1)C(C(=O)NC2CCCCC2)N(c3cccc(c3)Cl)C(=O)c4ccco4
Chemical ID:
3894124
Name [?]:
N-(3-chlorophenyl)-N-(cyclohexylcarbamoyl-phenyl-methyl)-furan-2-carboxamide
SMILES [?]:
c1ccc(cc1)C(C(=O)NC2CCCCC2)N(c3cccc(c3)Cl)C(=O)c4ccco4
InChi [?]:
InChI=1/C25H25ClN2O3/c26-19-11-7-14-21(17-19)28(25(30)22-15-8-16-31-22)23(18-9-3-1-4-10-18)24(29)27-20-12-5-2-6-13-20/h1,3-4,7-11,14-17,20,23H,2,5-6,12-13H2,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,14,2,6,13,15,20,29,3,5,21,12,16,19,28,30,23,4,22,11,18,27,7,8,25,24,10,17,9,26,31/E:(3,4)(5,6)(9,10)(12,13)/rA:31cCCCCCCCCONCCCCCCNCCCCCCClCOCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s7;s17;s18;d19;s20;d21;d18s22;s22;s17;d25;s25;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25ClN2O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.1601
Area:619.322
Solvation:-3.32291
Coulombic:-50.7124
Bond Count [?]
All:34
Single:24
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:436.93
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.03
LogP (Chemaxon):4.82

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Experimental Annotations

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Descriptor Annotations

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