N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide

C18H16N2O — CID 61296378

IUPACN-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide
SMILESCN(C(=O)c1ccc2ccccc2c1)c1cccc(N)c1
InChIInChI=1S/C18H16N2O/c1-20(17-8-4-7-16(19)12-17)18(21)15-10-9-13-5-2-3-6-14(13)11-15/h2-12H,19H2,1H3
InChIKeySMJBGCRJVMVDTE-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.70
Rot. Bonds2

About N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide

N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide (PubChem CID 61296378) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide
PubChem CID61296378
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide
SMILESCN(C(=O)c1ccc2ccccc2c1)c1cccc(N)c1
InChIInChI=1S/C18H16N2O/c1-20(17-8-4-7-16(19)12-17)18(21)15-10-9-13-5-2-3-6-14(13)11-15/h2-12H,19H2,1H3
InChIKeySMJBGCRJVMVDTE-UHFFFAOYSA-N
XLogP3.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
N-(3-aminophenyl)-N,4-dimethylbenzamide
CID 61296197
4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid
CID 44726898
N-(3-aminophenyl)-3-bromo-N-methylbenzamide
CID 61296754
N-(3-aminophenyl)-N,6-dimethylpyridine-2-carboxamide
CID 61297130
N-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide
CID 61297490
N-(3-aminophenyl)-N-methyl-3-propoxybenzamide
CID 62918808
N-tert-butyl-N-methylnaphthalene-2-carboxamide
CID 90337297
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
N-methyl-N-naphthalen-2-yl-4-(2-oxopiperidin-1-yl)benzamide
CID 55429642
4-(methoxymethyl)-N-methyl-N-naphthalen-2-ylbenzamide
CID 51175212
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide (CID 61296378) is N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide is CN(C(=O)c1ccc2ccccc2c1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide?
The InChIKey is SMJBGCRJVMVDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-20(17-8-4-7-16(19)12-17)18(21)15-10-9-13-5-2-3-6-14(13)11-15/h2-12H,19H2,1H3.
What are the key properties of N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide?
N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 61296378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).