N-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide

C16H11ClFNO2 — CID 107530967

IUPACN-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(Nc1cc(F)ccc1Cl)c1ccccc1C#CCO
InChIInChI=1S/C16H11ClFNO2/c17-14-8-7-12(18)10-15(14)19-16(21)13-6-2-1-4-11(13)5-3-9-20/h1-2,4,6-8,10,20H,9H2,(H,19,21)
InChIKeyANUBOGKWIGZXEA-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.08
Rot. Bonds2

About N-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide

N-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 107530967) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID107530967
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC NameN-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(Nc1cc(F)ccc1Cl)c1ccccc1C#CCO
InChIInChI=1S/C16H11ClFNO2/c17-14-8-7-12(18)10-15(14)19-16(21)13-6-2-1-4-11(13)5-3-9-20/h1-2,4,6-8,10,20H,9H2,(H,19,21)
InChIKeyANUBOGKWIGZXEA-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.08
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-(2-chlorophenyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816277
N-(2,3-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60815627
N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816523
N-(2-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 113231148
N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484973
N-(2-chloro-5-fluorophenyl)-2-hydrazinylbenzamide
CID 107531326
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-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107595323
2-(3-aminoprop-1-ynyl)-N-(2,4-dichlorophenyl)benzamide
CID 60820786
N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62812600
2-chloro-N-(2-chloro-5-fluorophenyl)-5-hydroxybenzamide
CID 107528809

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide (CID 107530967) is N-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide is O=C(Nc1cc(F)ccc1Cl)c1ccccc1C#CCO.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is ANUBOGKWIGZXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c17-14-8-7-12(18)10-15(14)19-16(21)13-6-2-1-4-11(13)5-3-9-20/h1-2,4,6-8,10,20H,9H2,(H,19,21).
What are the key properties of N-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
N-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 303.72 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 107530967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).