2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide

C17H17N3O5 — CID 9103856

IUPAC2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2C(C)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O5/c1-11(21)13-5-3-4-6-14(13)18-10-17(22)19-15-8-7-12(25-2)9-16(15)20(23)24/h3-9,18H,10H2,1-2H3,(H,19,22)
InChIKeySDVMNQFPIZQTAW-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.86
Rot. Bonds7

About 2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide

2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 9103856) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID9103856
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2C(C)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O5/c1-11(21)13-5-3-4-6-14(13)18-10-17(22)19-15-8-7-12(25-2)9-16(15)20(23)24/h3-9,18H,10H2,1-2H3,(H,19,22)
InChIKeySDVMNQFPIZQTAW-UHFFFAOYSA-N
XLogP2.86
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 31983699
N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide
CID 24583260
2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 42068751
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4806528
2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9099548
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 26416386
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 37175471
2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7798270
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide (CID 9103856) is 2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)CNc2ccccc2C(C)=O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is SDVMNQFPIZQTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-11(21)13-5-3-4-6-14(13)18-10-17(22)19-15-8-7-12(25-2)9-16(15)20(23)24/h3-9,18H,10H2,1-2H3,(H,19,22).
What are the key properties of 2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide?
2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 343.34 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 9103856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).