2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide

C15H15N3O3 — CID 81311332

IUPAC2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide
SMILESNCc1ccccc1CC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O3/c16-10-12-4-2-1-3-11(12)9-15(19)17-13-5-7-14(8-6-13)18(20)21/h1-8H,9-10,16H2,(H,17,19)
InChIKeyGCHTWBGTPPVGTH-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.23
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide (PubChem CID 81311332) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide
PubChem CID81311332
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide
SMILESNCc1ccccc1CC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O3/c16-10-12-4-2-1-3-11(12)9-15(19)17-13-5-7-14(8-6-13)18(20)21/h1-8H,9-10,16H2,(H,17,19)
InChIKeyGCHTWBGTPPVGTH-UHFFFAOYSA-N
XLogP2.23
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.23
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'}

Analyze 2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide 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-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide
CID 81311722
2-nitro-N-(4-nitrophenyl)acetamide
CID 19743312
2-(benzylamino)-N-(4-nitrophenyl)acetamide
CID 2985655
2-aminooxy-N-(4-nitrophenyl)acetamide
CID 159220259
(E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide
CID 62706949
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
2-[2-(aminomethyl)phenyl]-N-(3-hydroxy-4-methylphenyl)acetamide
CID 107701531
2-(4-methylsulfanylphenyl)-N-(4-nitrophenyl)acetamide
CID 18586808
2-[(4-nitrophenyl)methylamino]-N-phenylacetamide
CID 60875406
1-[(2-aminophenyl)methyl]-3-(4-nitrophenyl)thiourea
CID 167472805

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide (CID 81311332) is 2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide is NCc1ccccc1CC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide?
The InChIKey is GCHTWBGTPPVGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-10-12-4-2-1-3-11(12)9-15(19)17-13-5-7-14(8-6-13)18(20)21/h1-8H,9-10,16H2,(H,17,19).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide has a molecular weight of 285.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 81311332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).