4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide

C15H15N3O3 — CID 9341535

IUPAC4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
SMILESCNc1ccc(C(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-10-4-3-5-12(8-10)17-15(19)11-6-7-13(16-2)14(9-11)18(20)21/h3-9,16H,1-2H3,(H,17,19)
InChIKeyRZRYJKTUENIWQN-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.20
Rot. Bonds4

About 4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide

4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide (PubChem CID 9341535) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
PubChem CID9341535
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
SMILESCNc1ccc(C(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-10-4-3-5-12(8-10)17-15(19)11-6-7-13(16-2)14(9-11)18(20)21/h3-9,16H,1-2H3,(H,17,19)
InChIKeyRZRYJKTUENIWQN-UHFFFAOYSA-N
XLogP3.20
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.20
H-Bond Donors ≤ 52
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

4-bromo-N-(3-methylphenyl)-3-nitrobenzamide
CID 8713916
4-(2-aminoethylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 2947816
4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 2948532
N-(3-methylphenyl)-4-methylsulfanyl-3-nitrobenzamide
CID 7732929
4-[3-(dipropylamino)propylamino]-N-(3-methylphenyl)-3-nitrobenzamide;hydrochloride
CID 126479522
N-[4-[(2,4-dinitrophenyl)carbamoyl]phenyl]-3-methylbenzamide
CID 5152612
N-(1,3-benzodioxol-5-yl)-4-(methylamino)-3-nitrobenzamide
CID 7406884
2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 115936364
4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 55135799
4-methyl-N-[2-(3-methylanilino)-2-oxoethyl]-3-nitrobenzamide
CID 24574857
4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 62241983
4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide
CID 62242193

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide?
The IUPAC name of 4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide (CID 9341535) is 4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide?
The canonical SMILES for 4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide is CNc1ccc(C(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide?
The InChIKey is RZRYJKTUENIWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-4-3-5-12(8-10)17-15(19)11-6-7-13(16-2)14(9-11)18(20)21/h3-9,16H,1-2H3,(H,17,19).
What are the key properties of 4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide?
4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide has a molecular weight of 285.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 9341535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).