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

C11H12FNO2 — CID 82113156

IUPACN-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide
SMILESCCNC(=O)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C11H12FNO2/c1-3-13-11(15)10(14)8-4-5-9(12)7(2)6-8/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeyKCTIOERYVXMDTI-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.45
Rot. Bonds3

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

N-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide (PubChem CID 82113156) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is N-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide
PubChem CID82113156
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC NameN-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide
SMILESCCNC(=O)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C11H12FNO2/c1-3-13-11(15)10(14)8-4-5-9(12)7(2)6-8/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeyKCTIOERYVXMDTI-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 94263669
2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide
CID 82112119
2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide
CID 163899595
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide
CID 55218765
3-bromo-1-(4-fluoro-3-methylphenyl)propane-1,2-dione
CID 82132574
2-(4-fluoro-3-methylphenyl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 94283587
1-(4-fluoro-3-methylphenyl)-2-methylprop-2-en-1-one
CID 79189923
4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171
1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone
CID 82075088
1-(4-fluoro-3-methylphenyl)pentan-1-one
CID 62619864
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
CID 78995301

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide (CID 82113156) is N-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide is CCNC(=O)C(=O)c1ccc(F)c(C)c1.
What is the InChIKey of N-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide?
The InChIKey is KCTIOERYVXMDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-3-13-11(15)10(14)8-4-5-9(12)7(2)6-8/h4-6H,3H2,1-2H3,(H,13,15).
What are the key properties of N-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide?
N-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide has a molecular weight of 209.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 82113156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).