3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile

C15H13ClN2O — CID 60896465

IUPAC3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile
SMILESN#Cc1cccc(NCC(O)c2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN2O/c16-14-7-2-1-6-13(14)15(19)10-18-12-5-3-4-11(8-12)9-17/h1-8,15,18-19H,10H2
InChIKeySZWDBJPYIFDICB-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.36
Rot. Bonds4

About 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile

3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile (PubChem CID 60896465) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile
PubChem CID60896465
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile
SMILESN#Cc1cccc(NCC(O)c2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN2O/c16-14-7-2-1-6-13(14)15(19)10-18-12-5-3-4-11(8-12)9-17/h1-8,15,18-19H,10H2
InChIKeySZWDBJPYIFDICB-UHFFFAOYSA-N
XLogP3.36
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]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

4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-fluorobenzonitrile
CID 79002808
1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol
CID 60898393
2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol
CID 60902359
3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile
CID 109414638
3-(2,2-difluoroethylamino)benzonitrile
CID 60922387
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide
CID 111450979
1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol
CID 60896350
3-[(2-cyclopropyl-2-hydroxyethyl)amino]benzonitrile
CID 102822318
5-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]thiophene-3-carbonitrile
CID 111696128
2-(3-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107365115
3-(2,3-dimethylbutylamino)benzonitrile
CID 102816588
1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol
CID 60900575

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile?
The IUPAC name of 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile (CID 60896465) is 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile?
The canonical SMILES for 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile is N#Cc1cccc(NCC(O)c2ccccc2Cl)c1.
What is the InChIKey of 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile?
The InChIKey is SZWDBJPYIFDICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-14-7-2-1-6-13(14)15(19)10-18-12-5-3-4-11(8-12)9-17/h1-8,15,18-19H,10H2.
What are the key properties of 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile?
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile has a molecular weight of 272.74 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile is sourced from PubChem (CID 60896465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).