Chemical ID: 4325498

CCOc1ccc(cc1Cl)C(=O)Nc2ccc(cc2)Br
Chemical ID:
4325498
Name [?]:
N-(4-bromophenyl)-3-chloro-4-ethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1Cl)C(=O)Nc2ccc(cc2)Br
InChi [?]:
InChI=1/C15H13BrClNO2/c1-2-20-14-8-3-10(9-13(14)17)15(19)18-12-6-4-11(16)5-7-12/h3-9H,2H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,18,15,19,5,8,7,17,14,9,4,11,20,10,13,12,3/E:(4,5)(6,7)/rA:20nCCOCCCCCCClCONCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrClNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.55955
Area:505.147
Solvation:-3.06912
Coulombic:-30.0156
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:354.626
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.75
LogP (Chemaxon):4.5

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