Chemical ID: 6876155

Cc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)Nc3ccccc3Cl)C
Chemical ID:
6876155
Name [?]:
N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)Nc3ccccc3Cl)C
InChi [?]:
InChI=1/C23H21ClN2O3/c1-15-7-8-16(2)21(13-15)25-22(27)14-29-18-11-9-17(10-12-18)23(28)26-20-6-4-3-5-19(20)24/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,29,25,24,26,23,3,4,15,17,14,18,7,11,2,5,16,13,27,22,6,9,19,28,8,21,10,20,12/E:(9,10)(11,12)/rA:29nCCCCCCCNCOCOCCCCCCCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21ClN2O3
All Atoms:50
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.2736
Area:647.466
Solvation:-4.9131
Coulombic:-51.252
Bond Count [?]
All:31
Single:20
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:408.877
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.93
LogP (Chemaxon):4.08

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Descriptor Annotations

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