N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide

C18H17NO2 — CID 60816968

IUPACN-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C#CCO)c2)c(C)c1
InChIInChI=1S/C18H17NO2/c1-13-8-9-17(14(2)11-13)19-18(21)16-7-3-5-15(12-16)6-4-10-20/h3,5,7-9,11-12,20H,10H2,1-2H3,(H,19,21)
InChIKeyMGVILBLZBAFZPM-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.90
Rot. Bonds2

About N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide

N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 60816968) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID60816968
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C#CCO)c2)c(C)c1
InChIInChI=1S/C18H17NO2/c1-13-8-9-17(14(2)11-13)19-18(21)16-7-3-5-15(12-16)6-4-10-20/h3,5,7-9,11-12,20H,10H2,1-2H3,(H,19,21)
InChIKeyMGVILBLZBAFZPM-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.90
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

3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60802449
N-(2,4-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60817647
3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804718
N-(2,5-dichlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60815889
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804356
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methylbenzamide
CID 60805079
3-(3-aminoprop-1-ynyl)-N-(2-chloro-5-methylphenyl)benzamide
CID 107629755
4-(3-aminoprop-1-ynyl)-N-(2,4-dimethylphenyl)benzamide
CID 60821609
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide
CID 60804157
2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804357
1-N-(2,4-dimethylphenyl)-3-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 109057155
N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816686

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide (CID 60816968) is N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide is Cc1ccc(NC(=O)c2cccc(C#CCO)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is MGVILBLZBAFZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13-8-9-17(14(2)11-13)19-18(21)16-7-3-5-15(12-16)6-4-10-20/h3,5,7-9,11-12,20H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide?
N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 60816968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).