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

C17H15NO3 — CID 60804357

IUPAC2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
SMILESCc1cc(C#CCO)ccc1NC(=O)c1ccccc1O
InChIInChI=1S/C17H15NO3/c1-12-11-13(5-4-10-19)8-9-15(12)18-17(21)14-6-2-3-7-16(14)20/h2-3,6-9,11,19-20H,10H2,1H3,(H,18,21)
InChIKeyGEHVZMIBIDBSKY-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.30
Rot. Bonds2

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

2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide (PubChem CID 60804357) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
PubChem CID60804357
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
SMILESCc1cc(C#CCO)ccc1NC(=O)c1ccccc1O
InChIInChI=1S/C17H15NO3/c1-12-11-13(5-4-10-19)8-9-15(12)18-17(21)14-6-2-3-7-16(14)20/h2-3,6-9,11,19-20H,10H2,1H3,(H,18,21)
InChIKeyGEHVZMIBIDBSKY-UHFFFAOYSA-N
XLogP2.30
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide
CID 60815663
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804356
3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60802449
5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
CID 60802446
N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]thiadiazole-5-carboxamide
CID 65215724
N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816968
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide
CID 60804128
5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
CID 79094339
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 81259426
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide
CID 55091695
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide
CID 60813372

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide?
The IUPAC name of 2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide (CID 60804357) is 2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide is Cc1cc(C#CCO)ccc1NC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide?
The InChIKey is GEHVZMIBIDBSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-12-11-13(5-4-10-19)8-9-15(12)18-17(21)14-6-2-3-7-16(14)20/h2-3,6-9,11,19-20H,10H2,1H3,(H,18,21).
What are the key properties of 2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide?
2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide has a molecular weight of 281.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide is sourced from PubChem (CID 60804357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).