N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide

C16H12ClNO3 — CID 81252736

IUPACN-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide
SMILESO=C(Nc1ccc(Cl)cc1C#CCO)c1ccc(O)cc1
InChIInChI=1S/C16H12ClNO3/c17-13-5-8-15(12(10-13)2-1-9-19)18-16(21)11-3-6-14(20)7-4-11/h3-8,10,19-20H,9H2,(H,18,21)
InChIKeyMDPXZZHIEQPEKN-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.64
Rot. Bonds2

About N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide

N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide (PubChem CID 81252736) has the molecular formula C16H12ClNO3 and a molecular weight of 301.73 g/mol. Its IUPAC name is N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide
PubChem CID81252736
Molecular FormulaC16H12ClNO3
Molecular Weight301.73 g/mol
Exact Mass301.05
IUPAC NameN-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide
SMILESO=C(Nc1ccc(Cl)cc1C#CCO)c1ccc(O)cc1
InChIInChI=1S/C16H12ClNO3/c17-13-5-8-15(12(10-13)2-1-9-19)18-16(21)11-3-6-14(20)7-4-11/h3-8,10,19-20H,9H2,(H,18,21)
InChIKeyMDPXZZHIEQPEKN-UHFFFAOYSA-N
XLogP2.64
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide 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

4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 81260265
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide
CID 81269110
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926
4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide
CID 81262734
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide
CID 81268855
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 81262739
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-methylthiophene-3-carboxamide
CID 81263641
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
CID 81263552
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 81259426
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804356
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]pyrimidine-5-carboxamide
CID 102922441
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybutanamide
CID 81263304

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide?
The IUPAC name of N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide (CID 81252736) is N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide?
The canonical SMILES for N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide is O=C(Nc1ccc(Cl)cc1C#CCO)c1ccc(O)cc1.
What is the InChIKey of N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide?
The InChIKey is MDPXZZHIEQPEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3/c17-13-5-8-15(12(10-13)2-1-9-19)18-16(21)11-3-6-14(20)7-4-11/h3-8,10,19-20H,9H2,(H,18,21).
What are the key properties of N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide?
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide has a molecular weight of 301.73 g/mol, XLogP of 2.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide is sourced from PubChem (CID 81252736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).