2-(2-benzyl-5-chlorophenyl)acetonitrile

C15H12ClN — CID 154091984

IUPAC2-(2-benzyl-5-chlorophenyl)acetonitrile
SMILESN#CCc1cc(Cl)ccc1Cc1ccccc1
InChIInChI=1S/C15H12ClN/c16-15-7-6-13(14(11-15)8-9-17)10-12-4-2-1-3-5-12/h1-7,11H,8,10H2
InChIKeyYSRATGCOXIFBSF-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.00
Rot. Bonds3

About 2-(2-benzyl-5-chlorophenyl)acetonitrile

2-(2-benzyl-5-chlorophenyl)acetonitrile (PubChem CID 154091984) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(2-benzyl-5-chlorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-benzyl-5-chlorophenyl)acetonitrile
PubChem CID154091984
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC Name2-(2-benzyl-5-chlorophenyl)acetonitrile
SMILESN#CCc1cc(Cl)ccc1Cc1ccccc1
InChIInChI=1S/C15H12ClN/c16-15-7-6-13(14(11-15)8-9-17)10-12-4-2-1-3-5-12/h1-7,11H,8,10H2
InChIKeyYSRATGCOXIFBSF-UHFFFAOYSA-N
XLogP4.00
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-benzylnaphthalen-1-yl)acetonitrile
CID 11054322
2-benzyl-1-(bromomethyl)-4-chlorobenzene
CID 154112430
5-chloro-2-(cyanomethyl)benzonitrile
CID 12668062
2-benzyl-5-chlorobenzaldehyde
CID 121230690
4-chloro-2-(cyanomethyl)benzoic acid
CID 12603203
2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole
CID 170150906
4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium
CID 8860257
2-[3-(4-chlorophenyl)phenyl]acetonitrile
CID 22371480
2-(2-chlorobenzo[c]phenanthren-5-yl)acetonitrile
CID 11483469
2-[2-chloro-3-(cyanomethyl)phenyl]acetonitrile
CID 56997307
2-benzyl-5-fluorobenzonitrile
CID 166114436
1-(2-benzyl-4-chlorophenoxy)propan-2-one
CID 60626538

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-5-chlorophenyl)acetonitrile?
The IUPAC name of 2-(2-benzyl-5-chlorophenyl)acetonitrile (CID 154091984) is 2-(2-benzyl-5-chlorophenyl)acetonitrile.
What is the SMILES notation for 2-(2-benzyl-5-chlorophenyl)acetonitrile?
The canonical SMILES for 2-(2-benzyl-5-chlorophenyl)acetonitrile is N#CCc1cc(Cl)ccc1Cc1ccccc1.
What is the InChIKey of 2-(2-benzyl-5-chlorophenyl)acetonitrile?
The InChIKey is YSRATGCOXIFBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN/c16-15-7-6-13(14(11-15)8-9-17)10-12-4-2-1-3-5-12/h1-7,11H,8,10H2.
What are the key properties of 2-(2-benzyl-5-chlorophenyl)acetonitrile?
2-(2-benzyl-5-chlorophenyl)acetonitrile has a molecular weight of 241.72 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-5-chlorophenyl)acetonitrile is sourced from PubChem (CID 154091984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).