3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide

C17H14ClNO2 — CID 60804718

IUPAC3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
SMILESCc1ccc(C#CCO)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H14ClNO2/c1-12-7-8-13(4-3-9-20)10-16(12)19-17(21)14-5-2-6-15(18)11-14/h2,5-8,10-11,20H,9H2,1H3,(H,19,21)
InChIKeyDPHIGOPKWUXDNL-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.24
Rot. Bonds2

About 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide

3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide (PubChem CID 60804718) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
PubChem CID60804718
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
SMILESCc1ccc(C#CCO)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H14ClNO2/c1-12-7-8-13(4-3-9-20)10-16(12)19-17(21)14-5-2-6-15(18)11-14/h2,5-8,10-11,20H,9H2,1H3,(H,19,21)
InChIKeyDPHIGOPKWUXDNL-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 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide 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-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methylbenzamide
CID 60805079
N-(2,4-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60817647
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804356
N-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60815889
3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60802449
N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816686
N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816968
N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 65311034
3-chloro-N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]benzamide
CID 60804162
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-5-methylthiophene-2-carboxamide
CID 60803489
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide?
The IUPAC name of 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide (CID 60804718) is 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide is Cc1ccc(C#CCO)cc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide?
The InChIKey is DPHIGOPKWUXDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-12-7-8-13(4-3-9-20)10-16(12)19-17(21)14-5-2-6-15(18)11-14/h2,5-8,10-11,20H,9H2,1H3,(H,19,21).
What are the key properties of 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide?
3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide 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 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide is sourced from PubChem (CID 60804718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).