3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile

C15H12ClFN2 — CID 63510151

IUPAC3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile
SMILESCCN(c1cccc(F)c1)c1ccc(C#N)cc1Cl
InChIInChI=1S/C15H12ClFN2/c1-2-19(13-5-3-4-12(17)9-13)15-7-6-11(10-18)8-14(15)16/h3-9H,2H2,1H3
InChIKeyGFWZRCRKFJHHGQ-UHFFFAOYSA-N
MW274.73 g/mol
LogP4.51
Rot. Bonds3

About 3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile

3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile (PubChem CID 63510151) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile.

Molecular Properties

Compound Name3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile
PubChem CID63510151
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile
SMILESCCN(c1cccc(F)c1)c1ccc(C#N)cc1Cl
InChIInChI=1S/C15H12ClFN2/c1-2-19(13-5-3-4-12(17)9-13)15-7-6-11(10-18)8-14(15)16/h3-9H,2H2,1H3
InChIKeyGFWZRCRKFJHHGQ-UHFFFAOYSA-N
XLogP4.51
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-4-(N-ethyl-3-fluoroanilino)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

3-chloro-4-(N-ethyl-2-fluoroanilino)benzonitrile
CID 63509825
3-chloro-4-(3-cyano-N-methylanilino)benzonitrile
CID 63094271
4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile
CID 115367385
4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060103
4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile
CID 63511993
6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine
CID 62480942
3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
CID 102750868
4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide
CID 61062784
3-chloro-4-[2-cyanoethyl(ethyl)amino]benzonitrile
CID 55220672
6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine
CID 115474017
3-chloro-4-(4-cyano-N-methylanilino)benzonitrile
CID 63094109
N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline
CID 62122777

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile?
The IUPAC name of 3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile (CID 63510151) is 3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile.
What is the SMILES notation for 3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile?
The canonical SMILES for 3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile is CCN(c1cccc(F)c1)c1ccc(C#N)cc1Cl.
What is the InChIKey of 3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile?
The InChIKey is GFWZRCRKFJHHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c1-2-19(13-5-3-4-12(17)9-13)15-7-6-11(10-18)8-14(15)16/h3-9H,2H2,1H3.
What are the key properties of 3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile?
3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile has a molecular weight of 274.73 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile is sourced from PubChem (CID 63510151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).