Chemical ID: 4198503

Cc1c(cccc1Cl)NC(=O)c2cc(ccc2OC)Br
Chemical ID:
4198503
Name [?]:
5-bromo-N-(3-chloro-2-methyl-phenyl)-2-methoxy-benzamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)c2cc(ccc2OC)Br
InChi [?]:
InChI=1/C15H13BrClNO2/c1-9-12(17)4-3-5-13(9)18-15(19)11-8-10(16)6-7-14(11)20-2/h3-8H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,5,6,4,15,16,13,2,14,12,7,3,17,10,20,8,9,11,18/rA:20nCCCCCCCClNCOCCCCCCOCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrClNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.53805
Area:484.521
Solvation:-3.57497
Coulombic:-28.851
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:354.626
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.55
LogP (Chemaxon):3.98

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