N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide

C16H11Cl2NO2 — CID 60816523

IUPACN-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1C#CCO
InChIInChI=1S/C16H11Cl2NO2/c17-12-8-13(18)10-14(9-12)19-16(21)15-6-2-1-4-11(15)5-3-7-20/h1-2,4,6,8-10,20H,7H2,(H,19,21)
InChIKeyADSJDQLSWUNYKV-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.59
Rot. Bonds2

About N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide

N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 60816523) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID60816523
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC NameN-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1C#CCO
InChIInChI=1S/C16H11Cl2NO2/c17-12-8-13(18)10-14(9-12)19-16(21)15-6-2-1-4-11(15)5-3-7-20/h1-2,4,6,8-10,20H,7H2,(H,19,21)
InChIKeyADSJDQLSWUNYKV-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'}

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Related Compounds

N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62812600
N-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107530967
N-(2,3-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60815627
N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816213
2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240557
2-(3-aminoprop-1-ynyl)-N-(3-chloro-4-fluorophenyl)benzamide
CID 60822368
N-(2-chlorophenyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816277
2-(3-aminoprop-1-ynyl)-N-(2,4-dichlorophenyl)benzamide
CID 60820786
2-(3-aminoprop-1-ynyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 60821946
N-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81111785
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 81259426
2-(aminomethyl)-N-(3,5-dichlorophenyl)benzamide
CID 82546015

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide (CID 60816523) is N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1C#CCO.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is ADSJDQLSWUNYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c17-12-8-13(18)10-14(9-12)19-16(21)15-6-2-1-4-11(15)5-3-7-20/h1-2,4,6,8-10,20H,7H2,(H,19,21).
What are the key properties of N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)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 N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 60816523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).