Chemical ID: 4958018

c1ccc(cc1)NC(=O)c2ccc(c(c2)NC(=O)c3cccc(c3)Br)Cl
Chemical ID:
4958018
Name [?]:
3-(3-bromobenzoyl)amino-4-chloro-N-phenyl-benzamide
SMILES [?]:
c1ccc(cc1)NC(=O)c2ccc(c(c2)NC(=O)c3cccc(c3)Br)Cl
InChi [?]:
InChI=1/C20H14BrClN2O2/c21-15-6-4-5-13(11-15)20(26)24-18-12-14(9-10-17(18)22)19(25)23-16-7-2-1-3-8-16/h1-12H,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,20,22,3,5,11,12,24,15,19,10,23,4,13,14,8,17,25,26,7,16,9,18/E:(2,3)(7,8)/rA:26nCCCCCCNCOCCCCCCNCOCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14BrClN2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.8658
Area:591.823
Solvation:-2.92976
Coulombic:-45.3082
Bond Count [?]
All:28
Single:17
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:429.694
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.38
LogP (Chemaxon):4.82

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