2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide

C11H12N2O5 — CID 20617578

IUPAC2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide
SMILESNC(=O)Cc1ccc(OCC(=O)C[N+](=O)[O-])cc1
InChIInChI=1S/C11H12N2O5/c12-11(15)5-8-1-3-10(4-2-8)18-7-9(14)6-13(16)17/h1-4H,5-7H2,(H2,12,15)
InChIKeyMQSVHUTZJQTSDX-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.06
Rot. Bonds7

About 2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide

2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide (PubChem CID 20617578) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide
PubChem CID20617578
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide
SMILESNC(=O)Cc1ccc(OCC(=O)C[N+](=O)[O-])cc1
InChIInChI=1S/C11H12N2O5/c12-11(15)5-8-1-3-10(4-2-8)18-7-9(14)6-13(16)17/h1-4H,5-7H2,(H2,12,15)
InChIKeyMQSVHUTZJQTSDX-UHFFFAOYSA-N
XLogP-0.06
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.06
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-(3-nitro-2-oxopropoxy)phenyl]acetamide
CID 20617601
2-[4-[2-oxo-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 86150201
2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide
CID 38113386
1-(4-fluorophenyl)-3-(4-nitrophenoxy)propan-2-one
CID 61031388
1-(4-nitrophenoxy)-3-phenylpropan-2-one
CID 61031518
ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate
CID 95762944
2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide
CID 59322092
2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide
CID 572441
2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide
CID 72937831
2-[4-(2-hydroxypropyl)phenoxy]acetamide
CID 115495800
2-(4-cyclopentyloxyphenyl)acetamide
CID 82493829
[[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885591

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide (CID 20617578) is 2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide is NC(=O)Cc1ccc(OCC(=O)C[N+](=O)[O-])cc1.
What is the InChIKey of 2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide?
The InChIKey is MQSVHUTZJQTSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c12-11(15)5-8-1-3-10(4-2-8)18-7-9(14)6-13(16)17/h1-4H,5-7H2,(H2,12,15).
What are the key properties of 2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide?
2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide has a molecular weight of 252.23 g/mol, XLogP of -0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide is sourced from PubChem (CID 20617578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).