N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide

C20H17N3O3 — CID 887556

IUPACN-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C20H17N3O3/c24-20(14-15-6-4-5-9-19(15)23(25)26)22-18-12-10-17(11-13-18)21-16-7-2-1-3-8-16/h1-13,21H,14H2,(H,22,24)
InChIKeyJJYBEVZTYWOCFK-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.52
Rot. Bonds6

About N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide

N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide (PubChem CID 887556) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
PubChem CID887556
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C20H17N3O3/c24-20(14-15-6-4-5-9-19(15)23(25)26)22-18-12-10-17(11-13-18)21-16-7-2-1-3-8-16/h1-13,21H,14H2,(H,22,24)
InChIKeyJJYBEVZTYWOCFK-UHFFFAOYSA-N
XLogP4.52
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.52
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 N-(4-anilinophenyl)-2-(2-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-anilinophenyl)-4-(2-nitrophenyl)butanamide
CID 141025082
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
CID 51154622
2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 956534
N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide
CID 60533837
2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 1309880
N-(3-bromo-4-fluorophenyl)-2-(2-nitrophenyl)acetamide
CID 115661368
N-(3-chloro-4-methylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384920
N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide
CID 18144354
N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 2187430
2-(2-nitrophenyl)-N-(2-phenylphenyl)acetamide
CID 888362
N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide
CID 26880181
2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27708565

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide (CID 887556) is N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide?
The InChIKey is JJYBEVZTYWOCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-20(14-15-6-4-5-9-19(15)23(25)26)22-18-12-10-17(11-13-18)21-16-7-2-1-3-8-16/h1-13,21H,14H2,(H,22,24).
What are the key properties of N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide?
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide has a molecular weight of 347.37 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 887556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).