2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile

C16H14ClFN2 — CID 63511677

IUPAC2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile
SMILESCC(Cc1ccc(F)cc1)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C16H14ClFN2/c1-11(8-12-2-5-14(18)6-3-12)20-15-7-4-13(10-19)16(17)9-15/h2-7,9,11,20H,8H2,1H3
InChIKeyRJYVVIQIDVESPW-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.39
Rot. Bonds4

About 2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile

2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile (PubChem CID 63511677) has the molecular formula C16H14ClFN2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile
PubChem CID63511677
Molecular FormulaC16H14ClFN2
Molecular Weight288.75 g/mol
Exact Mass288.08
IUPAC Name2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile
SMILESCC(Cc1ccc(F)cc1)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C16H14ClFN2/c1-11(8-12-2-5-14(18)6-3-12)20-15-7-4-13(10-19)16(17)9-15/h2-7,9,11,20H,8H2,1H3
InChIKeyRJYVVIQIDVESPW-UHFFFAOYSA-N
XLogP4.39
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[1-(4-hydroxyphenyl)propan-2-ylamino]benzonitrile
CID 115494021
2-chloro-4-[1-(4-methoxyphenyl)propan-2-ylamino]benzonitrile
CID 43508838
(2S)-2-(3-chloro-4-cyanoanilino)-3-(4-fluorophenyl)propanoic acid
CID 67105225
2-chloro-4-(1-thiophen-3-ylpropan-2-ylamino)benzonitrile
CID 62946195
3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-nitroaniline
CID 114830588
2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile
CID 94473129
2-chloro-4-[1-(2-methoxyphenyl)propan-2-ylamino]benzonitrile
CID 43775110
2-chloro-4-(4-ethylsulfanylbutan-2-ylamino)benzonitrile
CID 115744740
4-[1-(4-hydroxyphenyl)propan-2-ylamino]benzene-1,2-dicarbonitrile
CID 107788231
2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile
CID 60966388
2-chloro-4-[[(1R)-1-cyclopropylethyl]amino]benzonitrile
CID 93300791
2-chloro-4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]benzonitrile
CID 43775118

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile?
The IUPAC name of 2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile (CID 63511677) is 2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile.
What is the SMILES notation for 2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile?
The canonical SMILES for 2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile is CC(Cc1ccc(F)cc1)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile?
The InChIKey is RJYVVIQIDVESPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2/c1-11(8-12-2-5-14(18)6-3-12)20-15-7-4-13(10-19)16(17)9-15/h2-7,9,11,20H,8H2,1H3.
What are the key properties of 2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile?
2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile has a molecular weight of 288.75 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile is sourced from PubChem (CID 63511677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).