Chemical ID: 6875565

Cc1c(cccc1Cl)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3C(C)C
Chemical ID:
6875565
Name [?]:
N-(3-chloro-2-methyl-phenyl)-4-[(2-isopropylphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3C(C)C
InChi [?]:
InChI=1/C25H25ClN2O3/c1-16(2)20-7-4-5-9-23(20)27-24(29)15-31-19-13-11-18(12-14-19)25(30)28-22-10-6-8-21(26)17(22)3/h4-14,16H,15H2,1-3H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:30,31,1,26,25,5,27,6,24,4,13,17,14,16,19,29,2,12,15,28,7,3,23,20,10,8,22,9,21,11,18/E:(1,2)(11,12)(13,14)/rA:31nCCCCCCCClNCOCCCCCCOCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25ClN2O3
All Atoms:56
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.2282
Area:688.874
Solvation:-4.99368
Coulombic:-51.575
Bond Count [?]
All:33
Single:22
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:436.93
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.69
LogP (Chemaxon):4.81

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Descriptor Annotations

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