N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide

C18H16N2O2 — CID 16775616

IUPACN-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2)N
InChIInChI=1S/C18H16N2O2/c1-22-15-8-9-17(16(19)11-15)20-18(21)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,19H2,1H3,(H,20,21)
InChIKeyBPCFTOJHBCMSIB-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.30
Rot. Bonds3

About N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide

N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide (PubChem CID 16775616) has the molecular formula C18H16N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide
PubChem CID16775616
Molecular FormulaC18H16N2O2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC NameN-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2)N
InChIInChI=1S/C18H16N2O2/c1-22-15-8-9-17(16(19)11-15)20-18(21)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,19H2,1H3,(H,20,21)
InChIKeyBPCFTOJHBCMSIB-UHFFFAOYSA-N
XLogP3.30
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity387

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide (CID 16775616) is N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide is COC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2)N.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide?
The InChIKey is BPCFTOJHBCMSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-15-8-9-17(16(19)11-15)20-18(21)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,19H2,1H3,(H,20,21).
What are the key properties of N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide?
N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 16775616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).