Chemical ID: 6463039

c1ccc(cc1)CNC(=O)c2ccc(cc2Br)Br
Chemical ID:
6463039
Name [?]:
N-benzyl-2,4-dibromo-benzamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2ccc(cc2Br)Br
InChi [?]:
InChI=1/C14H11Br2NO/c15-11-6-7-12(13(16)8-11)14(18)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,12,15,7,4,14,11,16,9,18,17,8,10/E:(2,3)(4,5)/rA:18nCCCCCCCNCOCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11Br2NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.66998
Area:460.018
Solvation:-1.83048
Coulombic:-24.1449
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:369.051
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.73
LogP (Chemaxon):4.3

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Descriptor Annotations

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