N-(4-fluoro-3-methylphenyl)-2-oxoacetamide

C9H8FNO2 — CID 115165884

IUPACN-(4-fluoro-3-methylphenyl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C=O)ccc1F
InChIInChI=1S/C9H8FNO2/c1-6-4-7(2-3-8(6)10)11-9(13)5-12/h2-5H,1H3,(H,11,13)
InChIKeyAAKDMSKNUXASEU-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.27
Rot. Bonds2

About N-(4-fluoro-3-methylphenyl)-2-oxoacetamide

N-(4-fluoro-3-methylphenyl)-2-oxoacetamide (PubChem CID 115165884) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-2-oxoacetamide
PubChem CID115165884
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC NameN-(4-fluoro-3-methylphenyl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C=O)ccc1F
InChIInChI=1S/C9H8FNO2/c1-6-4-7(2-3-8(6)10)11-9(13)5-12/h2-5H,1H3,(H,11,13)
InChIKeyAAKDMSKNUXASEU-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
N-(4-fluoro-3-methylphenyl)-2-hydroxypropanamide
CID 115140347
N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide
CID 62813947
1,3-bis(4-fluoro-3-methylphenyl)thiourea
CID 53365062
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813030
tert-butyl 2-(4-fluoro-3-methylanilino)-2-oxoacetate
CID 115141620
propyl N-(4-fluoro-3-methylphenyl)carbamate
CID 59576509
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62813765
2-bromo-N-(4-fluoro-3-methylphenyl)butanamide
CID 62856020
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
4-fluoro-3-methyl-N-prop-1-en-2-ylaniline
CID 142248112
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 79801294

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-2-oxoacetamide (CID 115165884) is N-(4-fluoro-3-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2-oxoacetamide is Cc1cc(NC(=O)C=O)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2-oxoacetamide?
The InChIKey is AAKDMSKNUXASEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c1-6-4-7(2-3-8(6)10)11-9(13)5-12/h2-5H,1H3,(H,11,13).
What are the key properties of N-(4-fluoro-3-methylphenyl)-2-oxoacetamide?
N-(4-fluoro-3-methylphenyl)-2-oxoacetamide has a molecular weight of 181.17 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 115165884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).