N-(4-aminophenyl)-2-methyl-5-nitrobenzamide

C14H13N3O3 — CID 63214788

IUPACN-(4-aminophenyl)-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H13N3O3/c1-9-2-7-12(17(19)20)8-13(9)14(18)16-11-5-3-10(15)4-6-11/h2-8H,15H2,1H3,(H,16,18)
InChIKeyPHANASCFCJZKLU-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.74
Rot. Bonds3

About N-(4-aminophenyl)-2-methyl-5-nitrobenzamide

N-(4-aminophenyl)-2-methyl-5-nitrobenzamide (PubChem CID 63214788) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-methyl-5-nitrobenzamide
PubChem CID63214788
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-(4-aminophenyl)-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H13N3O3/c1-9-2-7-12(17(19)20)8-13(9)14(18)16-11-5-3-10(15)4-6-11/h2-8H,15H2,1H3,(H,16,18)
InChIKeyPHANASCFCJZKLU-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide
CID 63936506
N-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide
CID 65429191
2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide
CID 62241799
2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide
CID 102977040
N-(3-amino-4-fluorophenyl)-2-methyl-4-nitrobenzamide
CID 63257262
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 9395287
2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 60594295
2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide
CID 43012608
2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide
CID 18931505
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-methyl-5-nitrobenzamide?
The IUPAC name of N-(4-aminophenyl)-2-methyl-5-nitrobenzamide (CID 63214788) is N-(4-aminophenyl)-2-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(4-aminophenyl)-2-methyl-5-nitrobenzamide?
The canonical SMILES for N-(4-aminophenyl)-2-methyl-5-nitrobenzamide is Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-methyl-5-nitrobenzamide?
The InChIKey is PHANASCFCJZKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-2-7-12(17(19)20)8-13(9)14(18)16-11-5-3-10(15)4-6-11/h2-8H,15H2,1H3,(H,16,18).
What are the key properties of N-(4-aminophenyl)-2-methyl-5-nitrobenzamide?
N-(4-aminophenyl)-2-methyl-5-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 N-(4-aminophenyl)-2-methyl-5-nitrobenzamide is sourced from PubChem (CID 63214788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).