N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide

C18H13ClN2O4 — CID 2833332

IUPACN-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C18H13ClN2O4/c1-25-17-9-12-5-3-2-4-11(12)8-14(17)18(22)20-15-7-6-13(19)10-16(15)21(23)24/h2-10H,1H3,(H,20,22)
InChIKeyGTLFGSURGRTURE-UHFFFAOYSA-N
MW356.77 g/mol
LogP4.66
Rot. Bonds4

About N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide

N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 2833332) has the molecular formula C18H13ClN2O4 and a molecular weight of 356.77 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide
PubChem CID2833332
Molecular FormulaC18H13ClN2O4
Molecular Weight356.77 g/mol
Exact Mass356.06
IUPAC NameN-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C18H13ClN2O4/c1-25-17-9-12-5-3-2-4-11(12)8-14(17)18(22)20-15-7-6-13(19)10-16(15)21(23)24/h2-10H,1H3,(H,20,22)
InChIKeyGTLFGSURGRTURE-UHFFFAOYSA-N
XLogP4.66
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide
CID 3539530
N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 91687381
4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 789181
5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide
CID 56827700
5-chloro-N-(4-ethoxy-2-nitrophenyl)-2-methoxybenzamide
CID 2933842
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 19257773
N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide
CID 4594147
5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 885071
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide
CID 26267184
4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide
CID 26877061
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-methoxybenzoate
CID 7485772

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide (CID 2833332) is N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide?
The InChIKey is GTLFGSURGRTURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4/c1-25-17-9-12-5-3-2-4-11(12)8-14(17)18(22)20-15-7-6-13(19)10-16(15)21(23)24/h2-10H,1H3,(H,20,22).
What are the key properties of N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide?
N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 356.77 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 2833332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).