N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide

C18H16N2O — CID 43259068

IUPACN-(2-amino-4-methylphenyl)naphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3ccccc23)c(N)c1
InChIInChI=1S/C18H16N2O/c1-12-9-10-17(16(19)11-12)20-18(21)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,19H2,1H3,(H,20,21)
InChIKeyBZFWLOKZEHSBCA-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.98
Rot. Bonds2

About N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide

N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide (PubChem CID 43259068) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)naphthalene-1-carboxamide
PubChem CID43259068
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-(2-amino-4-methylphenyl)naphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3ccccc23)c(N)c1
InChIInChI=1S/C18H16N2O/c1-12-9-10-17(16(19)11-12)20-18(21)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,19H2,1H3,(H,20,21)
InChIKeyBZFWLOKZEHSBCA-UHFFFAOYSA-N
XLogP3.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 107697510
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid
CID 143144416
N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide
CID 66596351
N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide
CID 60534076
N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide
CID 2179862
N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 64795170
N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62828848
2-amino-N-(2,4-dimethylphenyl)benzamide;hydrochloride
CID 170900117
N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide
CID 102979737
N-(2-amino-4-methylphenyl)pyridine-2-carboxamide
CID 43259115
N-(5-methyl-2-pyridinyl)naphthalene-1-carboxamide
CID 673887

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide (CID 43259068) is N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide is Cc1ccc(NC(=O)c2cccc3ccccc23)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide?
The InChIKey is BZFWLOKZEHSBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-9-10-17(16(19)11-12)20-18(21)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,19H2,1H3,(H,20,21).
What are the key properties of N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide?
N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 43259068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).