Chemical ID: 4189277

Cc1cc(ccc1NC(=O)c2ccccc2)NC(=O)c3cc(ccc3Cl)Cl
Chemical ID:
4189277
Name [?]:
N-(4-benzamido-3-methyl-phenyl)-2,5-dichloro-benzamide
SMILES [?]:
Cc1cc(ccc1NC(=O)c2ccccc2)NC(=O)c3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C21H16Cl2N2O2/c1-13-11-16(24-21(27)17-12-15(22)7-9-18(17)23)8-10-19(13)25-20(26)14-5-3-2-4-6-14/h2-12H,1H3,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,23,5,24,6,3,21,2,11,22,4,20,25,7,9,18,27,26,17,8,10,19/E:(3,4)(5,6)/rA:27nCCCCCCCNCOCCCCCCNCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s4;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16Cl2N2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.1379
Area:611.579
Solvation:-3.15158
Coulombic:-44.6023
Bond Count [?]
All:29
Single:18
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:399.269
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.01
LogP (Chemaxon):5.01

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