2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile

C15H12ClFN2 — CID 55246340

IUPAC2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)Nc2ccccc2Cl)cc1F
InChIInChI=1S/C15H12ClFN2/c1-10-6-7-11(8-13(10)17)15(9-18)19-14-5-3-2-4-12(14)16/h2-8,15,19H,1H3
InChIKeyOGBNKRVMUBQMAM-UHFFFAOYSA-N
MW274.73 g/mol
LogP4.46
Rot. Bonds3

About 2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile

2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile (PubChem CID 55246340) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile
PubChem CID55246340
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)Nc2ccccc2Cl)cc1F
InChIInChI=1S/C15H12ClFN2/c1-10-6-7-11(8-13(10)17)15(9-18)19-14-5-3-2-4-12(14)16/h2-8,15,19H,1H3
InChIKeyOGBNKRVMUBQMAM-UHFFFAOYSA-N
XLogP4.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile
CID 54887260
2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile
CID 54887307
2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile
CID 63648282
2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile
CID 54887309
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 114843485
2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile
CID 81436975
2-(4-chloroanilino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62121850
2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile
CID 61006567
2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 54886939
2-(butan-2-ylamino)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 63648620
2-(5-bromo-3-pyridinyl)-2-(2-chloroanilino)acetonitrile
CID 113469407
2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile
CID 107686157

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile?
The IUPAC name of 2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile (CID 55246340) is 2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile?
The canonical SMILES for 2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile is Cc1ccc(C(C#N)Nc2ccccc2Cl)cc1F.
What is the InChIKey of 2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile?
The InChIKey is OGBNKRVMUBQMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c1-10-6-7-11(8-13(10)17)15(9-18)19-14-5-3-2-4-12(14)16/h2-8,15,19H,1H3.
What are the key properties of 2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile?
2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile has a molecular weight of 274.73 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile is sourced from PubChem (CID 55246340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).