N-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide

C27H24N2O2 — CID 7311940

IUPACN-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)Cc3cccc4ccccc34)cc2)c(C)c1
InChIInChI=1S/C27H24N2O2/c1-18-10-15-25(19(2)16-18)29-27(31)21-11-13-23(14-12-21)28-26(30)17-22-8-5-7-20-6-3-4-9-24(20)22/h3-16H,17H2,1-2H3,(H,28,30)(H,29,31)
InChIKeySFWHDVLQKHAXSH-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.89
Rot. Bonds5

About N-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide

N-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide (PubChem CID 7311940) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
PubChem CID7311940
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC NameN-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)Cc3cccc4ccccc34)cc2)c(C)c1
InChIInChI=1S/C27H24N2O2/c1-18-10-15-25(19(2)16-18)29-27(31)21-11-13-23(14-12-21)28-26(30)17-22-8-5-7-20-6-3-4-9-24(20)22/h3-16H,17H2,1-2H3,(H,28,30)(H,29,31)
InChIKeySFWHDVLQKHAXSH-UHFFFAOYSA-N
XLogP5.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 8700251
N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide
CID 5046552
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574218
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide
CID 3645447
N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087808
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057157
methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate
CID 55441060
N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide
CID 1288920
N-[4-[(2-methylphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 2988389
N-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 26158889

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide (CID 7311940) is N-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide is Cc1ccc(NC(=O)c2ccc(NC(=O)Cc3cccc4ccccc34)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide?
The InChIKey is SFWHDVLQKHAXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-18-10-15-25(19(2)16-18)29-27(31)21-11-13-23(14-12-21)28-26(30)17-22-8-5-7-20-6-3-4-9-24(20)22/h3-16H,17H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide?
N-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide has a molecular weight of 408.50 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide is sourced from PubChem (CID 7311940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).