N-(4-methylphenyl)-2-(2-phenylethynyl)benzamide

C22H17NO — CID 135017880

IUPACN-(4-methylphenyl)-2-(2-phenylethynyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2C#Cc2ccccc2)cc1
InChIInChI=1S/C22H17NO/c1-17-11-15-20(16-12-17)23-22(24)21-10-6-5-9-19(21)14-13-18-7-3-2-4-8-18/h2-12,15-16H,1H3,(H,23,24)
InChIKeyCGLMVFGNSUUOJU-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.65
Rot. Bonds2

About N-(4-methylphenyl)-2-(2-phenylethynyl)benzamide

N-(4-methylphenyl)-2-(2-phenylethynyl)benzamide (PubChem CID 135017880) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(2-phenylethynyl)benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(2-phenylethynyl)benzamide
PubChem CID135017880
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC NameN-(4-methylphenyl)-2-(2-phenylethynyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2C#Cc2ccccc2)cc1
InChIInChI=1S/C22H17NO/c1-17-11-15-20(16-12-17)23-22(24)21-10-6-5-9-19(21)14-13-18-7-3-2-4-8-18/h2-12,15-16H,1H3,(H,23,24)
InChIKeyCGLMVFGNSUUOJU-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methylphenyl)ethynyl]-N-phenylbenzamide
CID 102453859
N-(4-bromophenyl)-2-(2-phenylethynyl)benzamide
CID 135017964
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365
2-ethynyl-N-phenylbenzamide
CID 25216325
2-hex-1-ynyl-N-phenylbenzamide
CID 102337761
N-(4-methylphenyl)-2-methylsulfinylbenzamide
CID 12718460
1-methyl-4-[2-[2-[2-[2-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 25058797
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
methyl 2-[3-[N-benzyl-2-[(4-methylphenyl)carbamoyl]anilino]prop-1-ynyl]benzoate
CID 11477334
2-[[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785287
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(2-phenylethynyl)benzamide?
The IUPAC name of N-(4-methylphenyl)-2-(2-phenylethynyl)benzamide (CID 135017880) is N-(4-methylphenyl)-2-(2-phenylethynyl)benzamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(2-phenylethynyl)benzamide?
The canonical SMILES for N-(4-methylphenyl)-2-(2-phenylethynyl)benzamide is Cc1ccc(NC(=O)c2ccccc2C#Cc2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(2-phenylethynyl)benzamide?
The InChIKey is CGLMVFGNSUUOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-17-11-15-20(16-12-17)23-22(24)21-10-6-5-9-19(21)14-13-18-7-3-2-4-8-18/h2-12,15-16H,1H3,(H,23,24).
What are the key properties of N-(4-methylphenyl)-2-(2-phenylethynyl)benzamide?
N-(4-methylphenyl)-2-(2-phenylethynyl)benzamide has a molecular weight of 311.38 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(2-phenylethynyl)benzamide is sourced from PubChem (CID 135017880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).