N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide

C18H15ClN2O2 — CID 91687381

IUPACN-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C18H15ClN2O2/c1-23-17-9-12-5-3-2-4-11(12)8-14(17)18(22)21-16-7-6-13(19)10-15(16)20/h2-10H,20H2,1H3,(H,21,22)
InChIKeyMNAPZIDAOGARSD-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.34
Rot. Bonds3

About N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide

N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 91687381) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
PubChem CID91687381
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C18H15ClN2O2/c1-23-17-9-12-5-3-2-4-11(12)8-14(17)18(22)21-16-7-6-13(19)10-15(16)20/h2-10H,20H2,1H3,(H,21,22)
InChIKeyMNAPZIDAOGARSD-UHFFFAOYSA-N
XLogP4.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide
CID 2833332
N-(2-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 29274206
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
N-(2-amino-4-chlorophenyl)-2-fluorobenzamide
CID 16773651
methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 92679714
[3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate
CID 123775354
N-(4-fluoro-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 7924533
N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide
CID 1020033
2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid
CID 159441920
N-(2-amino-5-chloro-4-methylphenyl)-5-chloro-2-methoxybenzamide
CID 91687657
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17117888
3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide
CID 90944531

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide (CID 91687381) is N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide?
The InChIKey is MNAPZIDAOGARSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-23-17-9-12-5-3-2-4-11(12)8-14(17)18(22)21-16-7-6-13(19)10-15(16)20/h2-10H,20H2,1H3,(H,21,22).
What are the key properties of N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide?
N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 4.34, 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-chlorophenyl)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 91687381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).