2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile

C14H10ClFN2 — CID 54887260

IUPAC2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile
SMILESN#CC(Nc1ccccc1Cl)c1cccc(F)c1
InChIInChI=1S/C14H10ClFN2/c15-12-6-1-2-7-13(12)18-14(9-17)10-4-3-5-11(16)8-10/h1-8,14,18H
InChIKeyARXQJRMAUFQFTC-UHFFFAOYSA-N
MW260.70 g/mol
LogP4.16
Rot. Bonds3

About 2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile

2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile (PubChem CID 54887260) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile
PubChem CID54887260
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile
SMILESN#CC(Nc1ccccc1Cl)c1cccc(F)c1
InChIInChI=1S/C14H10ClFN2/c15-12-6-1-2-7-13(12)18-14(9-17)10-4-3-5-11(16)8-10/h1-8,14,18H
InChIKeyARXQJRMAUFQFTC-UHFFFAOYSA-N
XLogP4.16
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile
CID 54887451
2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 55246340
2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile
CID 54887309
2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile
CID 54886838
2-(5-bromo-3-pyridinyl)-2-(2-chloroanilino)acetonitrile
CID 113469407
2-(benzylamino)-2-(3-fluorophenyl)acetonitrile
CID 10823953
2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile
CID 81436975
2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile
CID 54887307
2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 60990310
2-(7-bromo-1,3-benzodioxol-5-yl)-2-(2-chloroanilino)acetonitrile
CID 61004879
3-[(2-bromoanilino)-cyanomethyl]benzonitrile
CID 54886944
2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile
CID 54887489

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile?
The IUPAC name of 2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile (CID 54887260) is 2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile?
The canonical SMILES for 2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile is N#CC(Nc1ccccc1Cl)c1cccc(F)c1.
What is the InChIKey of 2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile?
The InChIKey is ARXQJRMAUFQFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c15-12-6-1-2-7-13(12)18-14(9-17)10-4-3-5-11(16)8-10/h1-8,14,18H.
What are the key properties of 2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile?
2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile has a molecular weight of 260.70 g/mol, XLogP of 4.16, 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-fluorophenyl)acetonitrile is sourced from PubChem (CID 54887260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).