N-[1-(4-nitrophenyl)-2-oxoethyl]acetamide

C10H10N2O4 — CID 174881625

IUPACN-[1-(4-nitrophenyl)-2-oxoethyl]acetamide
SMILESCC(=O)NC(C=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O4/c1-7(14)11-10(6-13)8-2-4-9(5-3-8)12(15)16/h2-6,10H,1H3,(H,11,14)
InChIKeyLDBXTRHHLKNSSS-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.97
Rot. Bonds4

About N-[1-(4-nitrophenyl)-2-oxoethyl]acetamide

N-[1-(4-nitrophenyl)-2-oxoethyl]acetamide (PubChem CID 174881625) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is N-[1-(4-nitrophenyl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-nitrophenyl)-2-oxoethyl]acetamide
PubChem CID174881625
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC NameN-[1-(4-nitrophenyl)-2-oxoethyl]acetamide
SMILESCC(=O)NC(C=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O4/c1-7(14)11-10(6-13)8-2-4-9(5-3-8)12(15)16/h2-6,10H,1H3,(H,11,14)
InChIKeyLDBXTRHHLKNSSS-UHFFFAOYSA-N
XLogP0.97
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

(2S)-2-acetamido-2-(4-nitrophenyl)acetic acid
CID 14037273
(2S,3S)-2-acetamido-3-(4-nitrophenyl)butanoic acid
CID 40558447
N-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide
CID 53412405
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
CID 4335
(2S,3R)-3-hydroxy-2-methyl-3-(4-nitrophenyl)propanal
CID 11858496
1-chloro-1-(4-nitrophenyl)propan-2-one
CID 13381943
3-(4-aminophenyl)-4-(4-nitrophenyl)hexane-2,5-dione
CID 91547791
3-(4-nitrophenyl)pent-4-en-2-one
CID 70533360
dimethyl 2-(4-nitrophenyl)propanedioate
CID 2764303
(2S)-3-methyl-2-(4-nitrophenyl)butanoate
CID 6953073
methyl 2-(4-nitrophenyl)-3-oxobutanoate
CID 70847712
butane;1-butan-2-yl-4-nitrobenzene;2-methylpropan-2-ol;propan-2-one
CID 144859110

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-nitrophenyl)-2-oxoethyl]acetamide?
The IUPAC name of N-[1-(4-nitrophenyl)-2-oxoethyl]acetamide (CID 174881625) is N-[1-(4-nitrophenyl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-[1-(4-nitrophenyl)-2-oxoethyl]acetamide?
The canonical SMILES for N-[1-(4-nitrophenyl)-2-oxoethyl]acetamide is CC(=O)NC(C=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[1-(4-nitrophenyl)-2-oxoethyl]acetamide?
The InChIKey is LDBXTRHHLKNSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-7(14)11-10(6-13)8-2-4-9(5-3-8)12(15)16/h2-6,10H,1H3,(H,11,14).
What are the key properties of N-[1-(4-nitrophenyl)-2-oxoethyl]acetamide?
N-[1-(4-nitrophenyl)-2-oxoethyl]acetamide has a molecular weight of 222.20 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-nitrophenyl)-2-oxoethyl]acetamide is sourced from PubChem (CID 174881625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).