N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide

C14H13N3O4 — CID 43599838

IUPACN-(3-amino-4-methoxyphenyl)-3-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1N
InChIInChI=1S/C14H13N3O4/c1-21-13-6-5-10(8-12(13)15)16-14(18)9-3-2-4-11(7-9)17(19)20/h2-8H,15H2,1H3,(H,16,18)
InChIKeyKMGJHRJJMBJRIV-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.44
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide

N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide (PubChem CID 43599838) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-nitrobenzamide
PubChem CID43599838
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1N
InChIInChI=1S/C14H13N3O4/c1-21-13-6-5-10(8-12(13)15)16-14(18)9-3-2-4-11(7-9)17(19)20/h2-8H,15H2,1H3,(H,16,18)
InChIKeyKMGJHRJJMBJRIV-UHFFFAOYSA-N
XLogP2.44
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
N-(3-amino-4-methoxyphenyl)-3-iodobenzamide
CID 43599948
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
N-(3-amino-4-methoxyphenyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 43599966
4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 40742222
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 7687475
N-(3-bromo-4-methoxyphenyl)-3,5-dinitrobenzamide
CID 3548718
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide
CID 55865426

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide (CID 43599838) is N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide is COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide?
The InChIKey is KMGJHRJJMBJRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-21-13-6-5-10(8-12(13)15)16-14(18)9-3-2-4-11(7-9)17(19)20/h2-8H,15H2,1H3,(H,16,18).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide?
N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide has a molecular weight of 287.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide is sourced from PubChem (CID 43599838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).