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

C16H12ClNO2 — CID 60803971

IUPAC4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C#CCO)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO2/c17-14-8-6-13(7-9-14)16(20)18-15-5-1-3-12(11-15)4-2-10-19/h1,3,5-9,11,19H,10H2,(H,18,20)
InChIKeyIAHBWQQSKHZOMT-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.94
Rot. Bonds2

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

4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide (PubChem CID 60803971) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
PubChem CID60803971
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C#CCO)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO2/c17-14-8-6-13(7-9-14)16(20)18-15-5-1-3-12(11-15)4-2-10-19/h1,3,5-9,11,19H,10H2,(H,18,20)
InChIKeyIAHBWQQSKHZOMT-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.94
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-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816686
3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803799
3-chloro-N-[3-(4-hydroxybut-1-ynyl)phenyl]benzamide
CID 60804759
4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60804145
N-(2,4-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60817647
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804356
N-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60815889
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 65311034
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60805045
N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62200673
3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide
CID 60815302

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide (CID 60803971) is 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide is O=C(Nc1cccc(C#CCO)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
The InChIKey is IAHBWQQSKHZOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-14-8-6-13(7-9-14)16(20)18-15-5-1-3-12(11-15)4-2-10-19/h1,3,5-9,11,19H,10H2,(H,18,20).
What are the key properties of 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide?
4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide has a molecular weight of 285.73 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide is sourced from PubChem (CID 60803971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).