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

C16H13NO3 — CID 60802926

IUPAC4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C#CCO)c1ccc(O)cc1
InChIInChI=1S/C16H13NO3/c18-11-3-5-12-4-1-2-6-15(12)17-16(20)13-7-9-14(19)10-8-13/h1-2,4,6-10,18-19H,11H2,(H,17,20)
InChIKeyPSEDLYFIBJUGCP-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.99
Rot. Bonds2

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

4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide (PubChem CID 60802926) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
PubChem CID60802926
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C#CCO)c1ccc(O)cc1
InChIInChI=1S/C16H13NO3/c18-11-3-5-12-4-1-2-6-15(12)17-16(20)13-7-9-14(19)10-8-13/h1-2,4,6-10,18-19H,11H2,(H,17,20)
InChIKeyPSEDLYFIBJUGCP-UHFFFAOYSA-N
XLogP1.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.99
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

N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60802229
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide
CID 81269110
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide
CID 81252736
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 54923430
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide
CID 63080851
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753843
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 81260265
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803097
N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
CID 60800145

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
The IUPAC name of 4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide (CID 60802926) is 4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide is O=C(Nc1ccccc1C#CCO)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
The InChIKey is PSEDLYFIBJUGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-11-3-5-12-4-1-2-6-15(12)17-16(20)13-7-9-14(19)10-8-13/h1-2,4,6-10,18-19H,11H2,(H,17,20).
What are the key properties of 4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide has a molecular weight of 267.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide is sourced from PubChem (CID 60802926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).