2-methylaniline;naphthalene-2-carboxamide

C18H18N2O — CID 67824326

IUPAC2-methylaniline;naphthalene-2-carboxamide
SMILESCc1ccccc1N.NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C11H9NO.C7H9N/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-6-4-2-3-5-7(6)8/h1-7H,(H2,12,13);2-5H,8H2,1H3
InChIKeyMHOFOLXFQSISID-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.52
Rot. Bonds1

About 2-methylaniline;naphthalene-2-carboxamide

2-methylaniline;naphthalene-2-carboxamide (PubChem CID 67824326) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methylaniline;naphthalene-2-carboxamide.

Molecular Properties

Compound Name2-methylaniline;naphthalene-2-carboxamide
PubChem CID67824326
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name2-methylaniline;naphthalene-2-carboxamide
SMILESCc1ccccc1N.NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C11H9NO.C7H9N/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-6-4-2-3-5-7(6)8/h1-7H,(H2,12,13);2-5H,8H2,1H3
InChIKeyMHOFOLXFQSISID-UHFFFAOYSA-N
XLogP3.52
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylaniline;naphthalene-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

tetracene-2-carboxamide;hydrobromide
CID 22400124
5-methylnaphthalene-2-carboxamide
CID 89351493
2-methylaniline;terephthalic acid
CID 174605990
benzene-1,2-diamine;benzene-1,3,5-tricarboxamide
CID 67830844
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
ethane;naphthalene-2-carbohydrazide
CID 91601372
N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide
CID 115912255
N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide
CID 16773401
dinaphthalen-2-ylmethanone
CID 10945915
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
N'-(2-methylphenyl)naphthalene-2-carboximidamide
CID 90076773

Frequently Asked Questions

What is the IUPAC name of 2-methylaniline;naphthalene-2-carboxamide?
The IUPAC name of 2-methylaniline;naphthalene-2-carboxamide (CID 67824326) is 2-methylaniline;naphthalene-2-carboxamide.
What is the SMILES notation for 2-methylaniline;naphthalene-2-carboxamide?
The canonical SMILES for 2-methylaniline;naphthalene-2-carboxamide is Cc1ccccc1N.NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-methylaniline;naphthalene-2-carboxamide?
The InChIKey is MHOFOLXFQSISID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO.C7H9N/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-6-4-2-3-5-7(6)8/h1-7H,(H2,12,13);2-5H,8H2,1H3.
What are the key properties of 2-methylaniline;naphthalene-2-carboxamide?
2-methylaniline;naphthalene-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylaniline;naphthalene-2-carboxamide is sourced from PubChem (CID 67824326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).