2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile

C13H15ClN2O — CID 60883762

IUPAC2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile
SMILESN#Cc1ccc(NC2CCCCC2O)cc1Cl
InChIInChI=1S/C13H15ClN2O/c14-11-7-10(6-5-9(11)8-15)16-12-3-1-2-4-13(12)17/h5-7,12-13,16-17H,1-4H2
InChIKeyPZMOZVISGCSMLV-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.93
Rot. Bonds2

About 2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile

2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile (PubChem CID 60883762) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile
PubChem CID60883762
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile
SMILESN#Cc1ccc(NC2CCCCC2O)cc1Cl
InChIInChI=1S/C13H15ClN2O/c14-11-7-10(6-5-9(11)8-15)16-12-3-1-2-4-13(12)17/h5-7,12-13,16-17H,1-4H2
InChIKeyPZMOZVISGCSMLV-UHFFFAOYSA-N
XLogP2.93
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-tert-butylcyclohexyl)amino]-2-chlorobenzonitrile
CID 43168410
4-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 60884623
2-(4-bromo-3-chloroanilino)cyclopentan-1-ol
CID 107619823
2-chloro-4-[[(1R,2S)-2-hydroxycyclopentyl]methylamino]benzonitrile
CID 95778487
2-chloro-4-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]benzonitrile
CID 95778489
2-chloro-4-[3-(2-hydroxycyclohexyl)propylamino]benzonitrile
CID 133385081
2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60900430
4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 114905279
1-(3-chloro-4-cyanophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111636109
3-(3-chloro-4-cyanoanilino)cyclopentane-1-carboxylic acid
CID 66032184
trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
CID 93345854
2-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43402252

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile?
The IUPAC name of 2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile (CID 60883762) is 2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile.
What is the SMILES notation for 2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile?
The canonical SMILES for 2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile is N#Cc1ccc(NC2CCCCC2O)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile?
The InChIKey is PZMOZVISGCSMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-11-7-10(6-5-9(11)8-15)16-12-3-1-2-4-13(12)17/h5-7,12-13,16-17H,1-4H2.
What are the key properties of 2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile?
2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile has a molecular weight of 250.73 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile is sourced from PubChem (CID 60883762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).