3,5-diamino-N-(4-methylphenyl)-N-naphthalen-2-ylbenzamide

C24H21N3O — CID 1240167

IUPAC3,5-diamino-N-(4-methylphenyl)-N-naphthalen-2-ylbenzamide
SMILESCc1ccc(N(C(=O)c2cc(N)cc(N)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H21N3O/c1-16-6-9-22(10-7-16)27(24(28)19-12-20(25)15-21(26)13-19)23-11-8-17-4-2-3-5-18(17)14-23/h2-15H,25-26H2,1H3
InChIKeyGMSRVZVQRHCQAR-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.29
Rot. Bonds3

About 3,5-diamino-N-(4-methylphenyl)-N-naphthalen-2-ylbenzamide

3,5-diamino-N-(4-methylphenyl)-N-naphthalen-2-ylbenzamide (PubChem CID 1240167) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 3,5-diamino-N-(4-methylphenyl)-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name3,5-diamino-N-(4-methylphenyl)-N-naphthalen-2-ylbenzamide
PubChem CID1240167
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name3,5-diamino-N-(4-methylphenyl)-N-naphthalen-2-ylbenzamide
SMILESCc1ccc(N(C(=O)c2cc(N)cc(N)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H21N3O/c1-16-6-9-22(10-7-16)27(24(28)19-12-20(25)15-21(26)13-19)23-11-8-17-4-2-3-5-18(17)14-23/h2-15H,25-26H2,1H3
InChIKeyGMSRVZVQRHCQAR-UHFFFAOYSA-N
XLogP5.29
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-N-naphthalen-2-yl-3-nitrobenzamide
CID 1378971
N,N-bis(4-methoxyphenyl)naphthalene-2-carboxamide
CID 129035097
N-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide
CID 70840440
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
CID 5128744
N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide
CID 61296378
3-amino-5-ethoxy-N-methyl-N-(4-methylphenyl)benzamide
CID 81093808
1-(3-methoxynaphthalen-2-yl)-1-(4-methylphenyl)urea
CID 70896646
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
N-isoquinolin-7-yl-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 68877581
(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid
CID 67427194
N-(3,5-dimethylphenyl)-N-methylnaphthalen-2-amine
CID 70891373

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(4-methylphenyl)-N-naphthalen-2-ylbenzamide?
The IUPAC name of 3,5-diamino-N-(4-methylphenyl)-N-naphthalen-2-ylbenzamide (CID 1240167) is 3,5-diamino-N-(4-methylphenyl)-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 3,5-diamino-N-(4-methylphenyl)-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 3,5-diamino-N-(4-methylphenyl)-N-naphthalen-2-ylbenzamide is Cc1ccc(N(C(=O)c2cc(N)cc(N)c2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 3,5-diamino-N-(4-methylphenyl)-N-naphthalen-2-ylbenzamide?
The InChIKey is GMSRVZVQRHCQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-16-6-9-22(10-7-16)27(24(28)19-12-20(25)15-21(26)13-19)23-11-8-17-4-2-3-5-18(17)14-23/h2-15H,25-26H2,1H3.
What are the key properties of 3,5-diamino-N-(4-methylphenyl)-N-naphthalen-2-ylbenzamide?
3,5-diamino-N-(4-methylphenyl)-N-naphthalen-2-ylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(4-methylphenyl)-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 1240167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).