N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide

C18H16N2O — CID 16773401

IUPACN-(5-amino-2-methylphenyl)naphthalene-2-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H16N2O/c1-12-6-9-16(19)11-17(12)20-18(21)15-8-7-13-4-2-3-5-14(13)10-15/h2-11H,19H2,1H3,(H,20,21)
InChIKeyVPXIIVJYRXVCBA-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.98
Rot. Bonds2

About N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide

N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide (PubChem CID 16773401) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)naphthalene-2-carboxamide
PubChem CID16773401
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-(5-amino-2-methylphenyl)naphthalene-2-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H16N2O/c1-12-6-9-16(19)11-17(12)20-18(21)15-8-7-13-4-2-3-5-14(13)10-15/h2-11H,19H2,1H3,(H,20,21)
InChIKeyVPXIIVJYRXVCBA-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-methylphenyl)naphthalene-2-carboxamide
CID 790563
N-(5-amino-2-methylphenyl)-4-phenoxybenzamide
CID 57326481
N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140
N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18072524
N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide
CID 115912255
N-(2-acetamidophenyl)naphthalene-2-carboxamide
CID 787693
N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide
CID 104669036
N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide
CID 16778250
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
N-(4-fluoro-2-methylphenyl)naphthalene-2-carboxamide
CID 7751885
N-(5-amino-2-methylphenyl)thiophene-3-carboxamide
CID 16775511
N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 2263420

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide (CID 16773401) is N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide is Cc1ccc(N)cc1NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide?
The InChIKey is VPXIIVJYRXVCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-6-9-16(19)11-17(12)20-18(21)15-8-7-13-4-2-3-5-14(13)10-15/h2-11H,19H2,1H3,(H,20,21).
What are the key properties of N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide?
N-(5-amino-2-methylphenyl)naphthalene-2-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-(5-amino-2-methylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 16773401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).