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

C14H13N3O3 — CID 43708294

IUPAC2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide
SMILESNc1ccc(CC(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O3/c15-11-7-5-10(6-8-11)9-14(18)16-12-3-1-2-4-13(12)17(19)20/h1-8H,9,15H2,(H,16,18)
InChIKeyROAGZUGRELPDNF-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.36
Rot. Bonds4

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

2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide (PubChem CID 43708294) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide
PubChem CID43708294
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide
SMILESNc1ccc(CC(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O3/c15-11-7-5-10(6-8-11)9-14(18)16-12-3-1-2-4-13(12)17(19)20/h1-8H,9,15H2,(H,16,18)
InChIKeyROAGZUGRELPDNF-UHFFFAOYSA-N
XLogP2.36
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.36
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-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide
CID 43711570
N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 116649980
3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991
1-(4-aminophenyl)-3-(2-nitrophenyl)thiourea
CID 87226985
2-(2-methoxyphenyl)-N-(2-nitrophenyl)acetamide
CID 3253389
2-(4-chlorophenyl)-N-[(2-nitrophenyl)carbamothioyl]acetamide
CID 2893881
2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide
CID 158137216
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
[2-(2-nitroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 40669347
N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide
CID 26880181

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide (CID 43708294) is 2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide is Nc1ccc(CC(=O)Nc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide?
The InChIKey is ROAGZUGRELPDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-11-7-5-10(6-8-11)9-14(18)16-12-3-1-2-4-13(12)17(19)20/h1-8H,9,15H2,(H,16,18).
What are the key properties of 2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide?
2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide has a molecular weight of 271.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 43708294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).