N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide

C25H21NO — CID 11783108

IUPACN-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)cc2ccccc2c1-c1ccccc1
InChIInChI=1S/C25H21NO/c1-18-23(25(27)26-17-19-10-4-2-5-11-19)16-21-14-8-9-15-22(21)24(18)20-12-6-3-7-13-20/h2-16H,17H2,1H3,(H,26,27)
InChIKeyBTWSOACHIJCWAV-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.75
Rot. Bonds4

About N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide

N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide (PubChem CID 11783108) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide
PubChem CID11783108
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC NameN-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)cc2ccccc2c1-c1ccccc1
InChIInChI=1S/C25H21NO/c1-18-23(25(27)26-17-19-10-4-2-5-11-19)16-21-14-8-9-15-22(21)24(18)20-12-6-3-7-13-20/h2-16H,17H2,1H3,(H,26,27)
InChIKeyBTWSOACHIJCWAV-UHFFFAOYSA-N
XLogP5.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one
CID 102351912
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N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide
CID 42665700
2-amino-N-benzylquinoline-3-carboxamide
CID 14177193
N-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide
CID 23344325
N-benzyl-2-iodo-4-methylbenzamide
CID 100523072
N-benzyl-2,3-dimethylpyridine-4-carboxamide
CID 110850641
N-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 22518262
N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide
CID 10645141
2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide
CID 53382850
N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide
CID 59534043
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide?
The IUPAC name of N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide (CID 11783108) is N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide is Cc1c(C(=O)NCc2ccccc2)cc2ccccc2c1-c1ccccc1.
What is the InChIKey of N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide?
The InChIKey is BTWSOACHIJCWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c1-18-23(25(27)26-17-19-10-4-2-5-11-19)16-21-14-8-9-15-22(21)24(18)20-12-6-3-7-13-20/h2-16H,17H2,1H3,(H,26,27).
What are the key properties of N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide?
N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 11783108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).