3-amino-N-(2-methylphenyl)-4-nitrobenzamide

C14H13N3O3 — CID 62682473

IUPAC3-amino-N-(2-methylphenyl)-4-nitrobenzamide
SMILESCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C14H13N3O3/c1-9-4-2-3-5-12(9)16-14(18)10-6-7-13(17(19)20)11(15)8-10/h2-8H,15H2,1H3,(H,16,18)
InChIKeyQYVDSJAZMZNAJZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.74
Rot. Bonds3

About 3-amino-N-(2-methylphenyl)-4-nitrobenzamide

3-amino-N-(2-methylphenyl)-4-nitrobenzamide (PubChem CID 62682473) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-amino-N-(2-methylphenyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-(2-methylphenyl)-4-nitrobenzamide
PubChem CID62682473
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-amino-N-(2-methylphenyl)-4-nitrobenzamide
SMILESCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C14H13N3O3/c1-9-4-2-3-5-12(9)16-14(18)10-6-7-13(17(19)20)11(15)8-10/h2-8H,15H2,1H3,(H,16,18)
InChIKeyQYVDSJAZMZNAJZ-UHFFFAOYSA-N
XLogP2.74
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-amino-N-(2-iodophenyl)-4-nitrobenzamide
CID 62681027
3-amino-N-(3-methyl-4-pyridinyl)-4-nitrobenzamide
CID 63670887
3-amino-N-(2-fluoro-4-methylphenyl)-4-nitrobenzamide
CID 62682826
4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680
N-[2-(tert-butylcarbamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 17256604
5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
CID 2599162
4-amino-N-(5-chloro-2-methylphenyl)-3-nitrobenzamide
CID 7551668
3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide
CID 62682844
3-amino-4-nitro-N-pyridin-4-ylbenzamide
CID 62681915
3-amino-N-(4-fluorophenyl)-4-nitrobenzamide
CID 62681564
N-(2-cyanophenyl)-4-methyl-3-nitrobenzamide
CID 24710737
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-nitrobenzamide
CID 62681392

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylphenyl)-4-nitrobenzamide?
The IUPAC name of 3-amino-N-(2-methylphenyl)-4-nitrobenzamide (CID 62682473) is 3-amino-N-(2-methylphenyl)-4-nitrobenzamide.
What is the SMILES notation for 3-amino-N-(2-methylphenyl)-4-nitrobenzamide?
The canonical SMILES for 3-amino-N-(2-methylphenyl)-4-nitrobenzamide is Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(N)c1.
What is the InChIKey of 3-amino-N-(2-methylphenyl)-4-nitrobenzamide?
The InChIKey is QYVDSJAZMZNAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-4-2-3-5-12(9)16-14(18)10-6-7-13(17(19)20)11(15)8-10/h2-8H,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-(2-methylphenyl)-4-nitrobenzamide?
3-amino-N-(2-methylphenyl)-4-nitrobenzamide has a molecular weight of 271.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylphenyl)-4-nitrobenzamide is sourced from PubChem (CID 62682473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).