Chemical ID: 4146017

c1ccc(cc1)CNC(=O)c2ccccc2Br
Chemical ID:
4146017
Name [?]:
N-benzyl-2-bromo-benzamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2ccccc2Br
InChi [?]:
InChI=1/C14H12BrNO/c15-13-9-5-4-8-12(13)14(17)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,14,3,5,12,15,7,4,11,16,9,17,8,10/E:(2,3)(6,7)/rA:17nCCCCCCCNCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12BrNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.9068
Area:429.359
Solvation:-1.82718
Coulombic:-24.6702
Bond Count [?]
All:18
Single:11
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.155
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.94
LogP (Chemaxon):3.51

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Descriptor Annotations

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