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

C18H16N2O — CID 115912255

IUPACN-(2-amino-5-methylphenyl)naphthalene-2-carboxamide
SMILESCc1ccc(N)c(NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H16N2O/c1-12-6-9-16(19)17(10-12)20-18(21)15-8-7-13-4-2-3-5-14(13)11-15/h2-11H,19H2,1H3,(H,20,21)
InChIKeyCJJPMRPBPZCAIR-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.98
Rot. Bonds2

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

N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide (PubChem CID 115912255) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)naphthalene-2-carboxamide
PubChem CID115912255
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-(2-amino-5-methylphenyl)naphthalene-2-carboxamide
SMILESCc1ccc(N)c(NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H16N2O/c1-12-6-9-16(19)17(10-12)20-18(21)15-8-7-13-4-2-3-5-14(13)11-15/h2-11H,19H2,1H3,(H,20,21)
InChIKeyCJJPMRPBPZCAIR-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-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 115912217
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide
CID 16773401
N-(2-acetamidophenyl)naphthalene-2-carboxamide
CID 787693
N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide
CID 112557228
N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide
CID 16775616
N-(2-amino-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 112557451
N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 59737553
N-(4-fluoro-2-methylphenyl)naphthalene-2-carboxamide
CID 7751885
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
N-(2-sulfanylphenyl)naphthalene-2-carboxamide
CID 23961098

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide (CID 115912255) is N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide is Cc1ccc(N)c(NC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide?
The InChIKey is CJJPMRPBPZCAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-6-9-16(19)17(10-12)20-18(21)15-8-7-13-4-2-3-5-14(13)11-15/h2-11H,19H2,1H3,(H,20,21).
What are the key properties of N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide?
N-(2-amino-5-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-(2-amino-5-methylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 115912255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).