N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide

C17H14ClNO2 — CID 65311034

IUPACN-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
SMILESCc1ccc(C#CCO)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H14ClNO2/c1-12-7-8-13(4-3-9-20)10-16(12)17(21)19-15-6-2-5-14(18)11-15/h2,5-8,10-11,20H,9H2,1H3,(H,19,21)
InChIKeyCRVSMBPIIKTJHV-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.24
Rot. Bonds2

About N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide

N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide (PubChem CID 65311034) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
PubChem CID65311034
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC NameN-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
SMILESCc1ccc(C#CCO)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H14ClNO2/c1-12-7-8-13(4-3-9-20)10-16(12)17(21)19-15-6-2-5-14(18)11-15/h2,5-8,10-11,20H,9H2,1H3,(H,19,21)
InChIKeyCRVSMBPIIKTJHV-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.24
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
5-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)-2-methylbenzamide
CID 65310829
3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804718
4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803971
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830959
N-[4-(3-aminoprop-1-ynyl)phenyl]-5-chloro-2-methylbenzamide
CID 82874678
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310982
4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60804145
3-chloro-N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]benzamide
CID 60804162
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide
CID 60815663
5-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 65311317
N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79695922

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide?
The IUPAC name of N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide (CID 65311034) is N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide is Cc1ccc(C#CCO)cc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide?
The InChIKey is CRVSMBPIIKTJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-12-7-8-13(4-3-9-20)10-16(12)17(21)19-15-6-2-5-14(18)11-15/h2,5-8,10-11,20H,9H2,1H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide?
N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide has a molecular weight of 299.76 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide is sourced from PubChem (CID 65311034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).