N-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide

C17H14ClNO2 — CID 81111785

IUPACN-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
SMILESCc1ccc(C#CCO)c(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H14ClNO2/c1-12-8-9-13(5-4-10-20)14(11-12)17(21)19-16-7-3-2-6-15(16)18/h2-3,6-9,11,20H,10H2,1H3,(H,19,21)
InChIKeyIIVFGISXLYLDLK-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.24
Rot. Bonds2

About N-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide

N-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide (PubChem CID 81111785) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
PubChem CID81111785
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC NameN-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
SMILESCc1ccc(C#CCO)c(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H14ClNO2/c1-12-8-9-13(5-4-10-20)14(11-12)17(21)19-16-7-3-2-6-15(16)18/h2-3,6-9,11,20H,10H2,1H3,(H,19,21)
InChIKeyIIVFGISXLYLDLK-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide 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

N-(2-chlorophenyl)-2,5-dimethylbenzamide
CID 925340
N-(2-chlorophenyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816277
N-(2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62509353
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-pyrimidin-5-ylbenzamide
CID 107589604
2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide
CID 107963956
N-(2,3-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60815627
N-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107530967
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide
CID 82766969
N-(3-ethylpentan-3-yl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81111472
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 81259426
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816523

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide (CID 81111785) is N-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide is Cc1ccc(C#CCO)c(C(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide?
The InChIKey is IIVFGISXLYLDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-12-8-9-13(5-4-10-20)14(11-12)17(21)19-16-7-3-2-6-15(16)18/h2-3,6-9,11,20H,10H2,1H3,(H,19,21).
What are the key properties of N-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide?
N-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide has a molecular weight of 299.76 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide is sourced from PubChem (CID 81111785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).