N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide

C17H15ClN2O2 — CID 86793655

IUPACN-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide
SMILESCC(O)(CNC(=O)c1ccc(C#N)cc1)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-17(22,14-4-2-3-5-15(14)18)11-20-16(21)13-8-6-12(10-19)7-9-13/h2-9,22H,11H2,1H3,(H,20,21)
InChIKeyBCNPYUUZFZSBRP-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.85
Rot. Bonds4

About N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide

N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide (PubChem CID 86793655) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide
PubChem CID86793655
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide
SMILESCC(O)(CNC(=O)c1ccc(C#N)cc1)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-17(22,14-4-2-3-5-15(14)18)11-20-16(21)13-8-6-12(10-19)7-9-13/h2-9,22H,11H2,1H3,(H,20,21)
InChIKeyBCNPYUUZFZSBRP-UHFFFAOYSA-N
XLogP2.85
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenyl)-2-hydroxypropyl]-3-[(4-cyanophenyl)methyl]urea
CID 86793254
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide
CID 86793674
4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 104625368
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 75508221
4-cyano-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500924
N-(2-tert-butylphenyl)-4-cyanobenzamide
CID 7688668
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide
CID 75523447
4-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-3-nitrobenzonitrile
CID 133472159
N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 75508216
[(1R)-1-(2-chlorophenyl)-2-[(4-cyanobenzoyl)amino]ethyl]-dimethylazanium
CID 9389581
4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63866133
1-N-[(2-chlorophenyl)methyl]-4-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109047331

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide (CID 86793655) is N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide is CC(O)(CNC(=O)c1ccc(C#N)cc1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide?
The InChIKey is BCNPYUUZFZSBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-17(22,14-4-2-3-5-15(14)18)11-20-16(21)13-8-6-12(10-19)7-9-13/h2-9,22H,11H2,1H3,(H,20,21).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide?
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide has a molecular weight of 314.77 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide is sourced from PubChem (CID 86793655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).