2-(3-benzoyl-2-chlorophenyl)acetonitrile

C15H10ClNO — CID 12909830

IUPAC2-(3-benzoyl-2-chlorophenyl)acetonitrile
SMILESN#CCc1cccc(C(=O)c2ccccc2)c1Cl
InChIInChI=1S/C15H10ClNO/c16-14-11(9-10-17)7-4-8-13(14)15(18)12-5-2-1-3-6-12/h1-8H,9H2
InChIKeyYDFDLPUCYLBDCD-UHFFFAOYSA-N
MW255.70 g/mol
LogP3.64
Rot. Bonds3

About 2-(3-benzoyl-2-chlorophenyl)acetonitrile

2-(3-benzoyl-2-chlorophenyl)acetonitrile (PubChem CID 12909830) has the molecular formula C15H10ClNO and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(3-benzoyl-2-chlorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-benzoyl-2-chlorophenyl)acetonitrile
PubChem CID12909830
Molecular FormulaC15H10ClNO
Molecular Weight255.70 g/mol
Exact Mass255.05
IUPAC Name2-(3-benzoyl-2-chlorophenyl)acetonitrile
SMILESN#CCc1cccc(C(=O)c2ccccc2)c1Cl
InChIInChI=1S/C15H10ClNO/c16-14-11(9-10-17)7-4-8-13(14)15(18)12-5-2-1-3-6-12/h1-8H,9H2
InChIKeyYDFDLPUCYLBDCD-UHFFFAOYSA-N
XLogP3.64
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-3-(thiophene-2-carbonyl)phenyl]acetonitrile
CID 21391785
2-[2-chloro-3-(cyanomethyl)phenyl]acetonitrile
CID 56997307
2-[3-(aminomethyl)-2-benzoylphenyl]acetonitrile
CID 150702449
bis(3-benzyl-2-chlorophenyl)methanone
CID 141224767
2-(4-benzoylphenyl)acetonitrile
CID 12827846
2-(2-benzoylphenyl)acetyl chloride
CID 139777615
3-(cyanomethyl)-2-methylbenzoic acid
CID 66621142
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
2-(2-amino-3-benzoyl-5-methoxyphenyl)acetonitrile
CID 19867781
(2,3-diethylphenyl)-phenylmethanone;phosphenous acid
CID 174596350
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
CID 174608573

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoyl-2-chlorophenyl)acetonitrile?
The IUPAC name of 2-(3-benzoyl-2-chlorophenyl)acetonitrile (CID 12909830) is 2-(3-benzoyl-2-chlorophenyl)acetonitrile.
What is the SMILES notation for 2-(3-benzoyl-2-chlorophenyl)acetonitrile?
The canonical SMILES for 2-(3-benzoyl-2-chlorophenyl)acetonitrile is N#CCc1cccc(C(=O)c2ccccc2)c1Cl.
What is the InChIKey of 2-(3-benzoyl-2-chlorophenyl)acetonitrile?
The InChIKey is YDFDLPUCYLBDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO/c16-14-11(9-10-17)7-4-8-13(14)15(18)12-5-2-1-3-6-12/h1-8H,9H2.
What are the key properties of 2-(3-benzoyl-2-chlorophenyl)acetonitrile?
2-(3-benzoyl-2-chlorophenyl)acetonitrile has a molecular weight of 255.70 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoyl-2-chlorophenyl)acetonitrile is sourced from PubChem (CID 12909830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).