N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide

C15H15N3O4 — CID 4296283

IUPACN-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C15H15N3O4/c1-16-14-8-5-11(18(20)21)9-13(14)15(19)17-10-3-6-12(22-2)7-4-10/h3-9,16H,1-2H3,(H,17,19)
InChIKeyLEYZLWVQBWTPGY-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.90
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide

N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide (PubChem CID 4296283) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
PubChem CID4296283
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C15H15N3O4/c1-16-14-8-5-11(18(20)21)9-13(14)15(19)17-10-3-6-12(22-2)7-4-10/h3-9,16H,1-2H3,(H,17,19)
InChIKeyLEYZLWVQBWTPGY-UHFFFAOYSA-N
XLogP2.90
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide
CID 55463130
2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 60619486
N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 24531986
2-chloro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5-nitrobenzamide
CID 26252770
N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide
CID 139678187
2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide
CID 141452154
N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide
CID 23770327
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide
CID 10968180
2-ethylsulfanyl-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 579627
2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide
CID 62241799
2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
CID 9158588

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide (CID 4296283) is N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide?
The InChIKey is LEYZLWVQBWTPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-16-14-8-5-11(18(20)21)9-13(14)15(19)17-10-3-6-12(22-2)7-4-10/h3-9,16H,1-2H3,(H,17,19).
What are the key properties of N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide?
N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide has a molecular weight of 301.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide is sourced from PubChem (CID 4296283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).