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

C25H21NO — CID 11057266

IUPACN-benzyl-N-methyl-4-phenylnaphthalene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)c2ccccc2c1
InChIInChI=1S/C25H21NO/c1-26(18-19-10-4-2-5-11-19)25(27)22-16-21-14-8-9-15-23(21)24(17-22)20-12-6-3-7-13-20/h2-17H,18H2,1H3
InChIKeyNVRIFXXLPBHJAS-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.78
Rot. Bonds4

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

N-benzyl-N-methyl-4-phenylnaphthalene-2-carboxamide (PubChem CID 11057266) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-phenylnaphthalene-2-carboxamide
PubChem CID11057266
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC NameN-benzyl-N-methyl-4-phenylnaphthalene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)c2ccccc2c1
InChIInChI=1S/C25H21NO/c1-26(18-19-10-4-2-5-11-19)25(27)22-16-21-14-8-9-15-23(21)24(17-22)20-12-6-3-7-13-20/h2-17H,18H2,1H3
InChIKeyNVRIFXXLPBHJAS-UHFFFAOYSA-N
XLogP5.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-phenylnaphthalene-2-carboxamide?
The IUPAC name of N-benzyl-N-methyl-4-phenylnaphthalene-2-carboxamide (CID 11057266) is N-benzyl-N-methyl-4-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-4-phenylnaphthalene-2-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-4-phenylnaphthalene-2-carboxamide is CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)c2ccccc2c1.
What is the InChIKey of N-benzyl-N-methyl-4-phenylnaphthalene-2-carboxamide?
The InChIKey is NVRIFXXLPBHJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c1-26(18-19-10-4-2-5-11-19)25(27)22-16-21-14-8-9-15-23(21)24(17-22)20-12-6-3-7-13-20/h2-17H,18H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-phenylnaphthalene-2-carboxamide?
N-benzyl-N-methyl-4-phenylnaphthalene-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 11057266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).