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

C16H11Cl2NO2 — CID 81260265

IUPAC4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C#CCO)c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl2NO2/c17-13-5-3-11(4-6-13)16(21)19-15-8-7-14(18)10-12(15)2-1-9-20/h3-8,10,20H,9H2,(H,19,21)
InChIKeyAOJAPJJCQBRKGG-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.59
Rot. Bonds2

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

4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide (PubChem CID 81260265) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
PubChem CID81260265
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C#CCO)c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl2NO2/c17-13-5-3-11(4-6-13)16(21)19-15-8-7-14(18)10-12(15)2-1-9-20/h3-8,10,20H,9H2,(H,19,21)
InChIKeyAOJAPJJCQBRKGG-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide
CID 81252736
4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide
CID 81262734
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide
CID 81269110
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804356
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]-2-methylbenzamide
CID 81259426
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
CID 81263552
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-methylthiophene-3-carboxamide
CID 81263641
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
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926
4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803971

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide (CID 81260265) is 4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide is O=C(Nc1ccc(Cl)cc1C#CCO)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
The InChIKey is AOJAPJJCQBRKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c17-13-5-3-11(4-6-13)16(21)19-15-8-7-14(18)10-12(15)2-1-9-20/h3-8,10,20H,9H2,(H,19,21).
What are the key properties of 4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide has a molecular weight of 320.18 g/mol, XLogP of 3.59, 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-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide is sourced from PubChem (CID 81260265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).