3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile

C15H7ClN2O — CID 135034380

IUPAC3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(C(=O)c2cccc(Cl)c2)c1C#N
InChIInChI=1S/C15H7ClN2O/c16-12-5-1-3-10(7-12)15(19)13-6-2-4-11(8-17)14(13)9-18/h1-7H
InChIKeyNSXBDQZUORMVDD-UHFFFAOYSA-N
MW266.69 g/mol
LogP3.31
Rot. Bonds2

About 3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile

3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile (PubChem CID 135034380) has the molecular formula C15H7ClN2O and a molecular weight of 266.69 g/mol. Its IUPAC name is 3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile
PubChem CID135034380
Molecular FormulaC15H7ClN2O
Molecular Weight266.69 g/mol
Exact Mass266.02
IUPAC Name3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(C(=O)c2cccc(Cl)c2)c1C#N
InChIInChI=1S/C15H7ClN2O/c16-12-5-1-3-10(7-12)15(19)13-6-2-4-11(8-17)14(13)9-18/h1-7H
InChIKeyNSXBDQZUORMVDD-UHFFFAOYSA-N
XLogP3.31
TPSA64.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone
CID 70624009
(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methanone
CID 114964168
CID 24798848
CID 24798848
2-fluoro-3-(3-fluorobenzoyl)benzonitrile
CID 174421745
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
(2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone
CID 90087855
(2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone
CID 5231026
(3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone
CID 11818322
[3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone
CID 102013038
2-benzoyl-4-chloro-6-methylbenzonitrile
CID 166441428
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile?
The IUPAC name of 3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile (CID 135034380) is 3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile is N#Cc1cccc(C(=O)c2cccc(Cl)c2)c1C#N.
What is the InChIKey of 3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile?
The InChIKey is NSXBDQZUORMVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClN2O/c16-12-5-1-3-10(7-12)15(19)13-6-2-4-11(8-17)14(13)9-18/h1-7H.
What are the key properties of 3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile?
3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile has a molecular weight of 266.69 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 135034380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).