4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide

C17H14ClNO2 — CID 60804356

IUPAC4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
SMILESCc1cc(C#CCO)ccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO2/c1-12-11-13(3-2-10-20)4-9-16(12)19-17(21)14-5-7-15(18)8-6-14/h4-9,11,20H,10H2,1H3,(H,19,21)
InChIKeyDERHMZPEIREXMD-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.24
Rot. Bonds2

About 4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide

4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide (PubChem CID 60804356) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
PubChem CID60804356
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
SMILESCc1cc(C#CCO)ccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO2/c1-12-11-13(3-2-10-20)4-9-16(12)19-17(21)14-5-7-15(18)8-6-14/h4-9,11,20H,10H2,1H3,(H,19,21)
InChIKeyDERHMZPEIREXMD-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'}

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-chlorobenzamide
CID 60813543
4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 81260265
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide
CID 60804157
5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
CID 60802446
3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60802449
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methylbenzamide
CID 60805079
3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804718
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide
CID 60813882
2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804357
4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803971
N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816968
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide (CID 60804356) is 4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide is Cc1cc(C#CCO)ccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide?
The InChIKey is DERHMZPEIREXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-12-11-13(3-2-10-20)4-9-16(12)19-17(21)14-5-7-15(18)8-6-14/h4-9,11,20H,10H2,1H3,(H,19,21).
What are the key properties of 4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide?
4-chloro-N-[4-(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 4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide is sourced from PubChem (CID 60804356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).