N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide

C16H14N2O5 — CID 717260

IUPACN-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O5/c1-11(19)12-6-8-13(9-7-12)17-16(20)10-23-15-5-3-2-4-14(15)18(21)22/h2-9H,10H2,1H3,(H,17,20)
InChIKeyPMARJLKHDHVDOA-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.81
Rot. Bonds6

About N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide

N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 717260) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
PubChem CID717260
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC NameN-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O5/c1-11(19)12-6-8-13(9-7-12)17-16(20)10-23-15-5-3-2-4-14(15)18(21)22/h2-9H,10H2,1H3,(H,17,20)
InChIKeyPMARJLKHDHVDOA-UHFFFAOYSA-N
XLogP2.81
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
ethyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717216
N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8559480
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218797
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-nitrophenoxy)acetate
CID 7788772
3-methylbutyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 19169490
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55986783
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 7789063
N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7924135

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide (CID 717260) is N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide is CC(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is PMARJLKHDHVDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-11(19)12-6-8-13(9-7-12)17-16(20)10-23-15-5-3-2-4-14(15)18(21)22/h2-9H,10H2,1H3,(H,17,20).
What are the key properties of N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide?
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 314.30 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 717260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).