2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide

C15H15N3O3 — CID 43724024

IUPAC2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H15N3O3/c16-15(19)9-11-1-5-13(6-2-11)17-10-12-3-7-14(8-4-12)18(20)21/h1-8,17H,9-10H2,(H2,16,19)
InChIKeyPICVGVPEWGZETQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.23
Rot. Bonds6

About 2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide

2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide (PubChem CID 43724024) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide
PubChem CID43724024
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H15N3O3/c16-15(19)9-11-1-5-13(6-2-11)17-10-12-3-7-14(8-4-12)18(20)21/h1-8,17H,9-10H2,(H2,16,19)
InChIKeyPICVGVPEWGZETQ-UHFFFAOYSA-N
XLogP2.23
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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-[4-[(4-nitrophenyl)methylamino]phenyl]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

4-methyl-N-[(4-nitrophenyl)methyl]aniline
CID 1132994
2-[4-[(4-ethylphenyl)methylamino]phenyl]acetamide
CID 43724073
4-nitro-N-(pyridin-4-ylmethyl)aniline
CID 3927656
5-[(4-nitroanilino)methyl]pyridine-2-carboxylic acid
CID 81100171
N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide
CID 42852606
N-[(4-nitrophenyl)methyl]-4-(trifluoromethyl)aniline
CID 22353776
2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide
CID 43724056
2-[4-[(3,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 60790039
N-[(3,4-difluorophenyl)methyl]-4-nitroaniline
CID 43425353
2-[4-[(3,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43786878
2-[(4-nitrophenyl)methylamino]propanamide
CID 43402378
4-[(4-nitrophenyl)methylamino]butanamide
CID 60865200

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide?
The IUPAC name of 2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide (CID 43724024) is 2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide is NC(=O)Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide?
The InChIKey is PICVGVPEWGZETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-15(19)9-11-1-5-13(6-2-11)17-10-12-3-7-14(8-4-12)18(20)21/h1-8,17H,9-10H2,(H2,16,19).
What are the key properties of 2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide?
2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide has a molecular weight of 285.30 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 43724024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).