N-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide

C10H9ClFNO2 — CID 115166166

IUPACN-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide
SMILESCc1cc(Cl)c(N(C)C(=O)C=O)cc1F
InChIInChI=1S/C10H9ClFNO2/c1-6-3-7(11)9(4-8(6)12)13(2)10(15)5-14/h3-5H,1-2H3
InChIKeyPEOWAYZQLIGDBB-UHFFFAOYSA-N
MW229.64 g/mol
LogP1.95
Rot. Bonds2

About N-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide

N-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide (PubChem CID 115166166) has the molecular formula C10H9ClFNO2 and a molecular weight of 229.64 g/mol. Its IUPAC name is N-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide
PubChem CID115166166
Molecular FormulaC10H9ClFNO2
Molecular Weight229.64 g/mol
Exact Mass229.03
IUPAC NameN-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide
SMILESCc1cc(Cl)c(N(C)C(=O)C=O)cc1F
InChIInChI=1S/C10H9ClFNO2/c1-6-3-7(11)9(4-8(6)12)13(2)10(15)5-14/h3-5H,1-2H3
InChIKeyPEOWAYZQLIGDBB-UHFFFAOYSA-N
XLogP1.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 51.95
H-Bond Donors ≤ 50
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-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162954
4-(2-chloro-5-fluoro-N,4-dimethylanilino)butanoic acid
CID 115218595
3-(2-chloro-5-fluoro-N,4-dimethylanilino)butanoic acid
CID 117042170
3-(2-chloro-5-fluoro-N,4-dimethylanilino)-2,2-dimethylpropan-1-ol
CID 115135295
N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166080
2-(2-chloro-5-fluoro-4-methylphenyl)-2-(dimethylamino)acetaldehyde
CID 116908742
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
1-[(2-chloro-5-fluoro-N,4-dimethylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245218
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
CID 115166049
3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide
CID 169481644
2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide
CID 117045039
2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 116827653

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide?
The IUPAC name of N-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide (CID 115166166) is N-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for N-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide is Cc1cc(Cl)c(N(C)C(=O)C=O)cc1F.
What is the InChIKey of N-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide?
The InChIKey is PEOWAYZQLIGDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO2/c1-6-3-7(11)9(4-8(6)12)13(2)10(15)5-14/h3-5H,1-2H3.
What are the key properties of N-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide?
N-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide has a molecular weight of 229.64 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 115166166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).