Chemical ID: 6401479

c1ccc2cc(ccc2c1)NC(=O)c3ccccc3Br
Chemical ID:
6401479
Name [?]:
2-bromo-N-(2-naphthyl)benzamide
SMILES [?]:
c1ccc2cc(ccc2c1)NC(=O)c3ccccc3Br
InChi [?]:
InChI=1/C17H12BrNO/c18-16-8-4-3-7-15(16)17(20)19-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,10,3,15,18,8,7,5,9,4,6,14,19,12,20,11,13/rA:20nCCCCCCCCCCNCOCCCCCCBr/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12BrNO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.26014
Area:455.73
Solvation:-2.13311
Coulombic:-23.9304
Bond Count [?]
All:22
Single:13
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:326.187
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.06
LogP (Chemaxon):4.9

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Descriptor Annotations

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