N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide

C13H16FNO3 — CID 94270213

IUPACN,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H16FNO3/c1-4-15(5-2)13(17)12(16)9-6-7-11(18-3)10(14)8-9/h6-8H,4-5H2,1-3H3
InChIKeyWSLTVPRTGFEKPN-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.89
Rot. Bonds5

About N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide

N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide (PubChem CID 94270213) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide
PubChem CID94270213
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC NameN,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H16FNO3/c1-4-15(5-2)13(17)12(16)9-6-7-11(18-3)10(14)8-9/h6-8H,4-5H2,1-3H3
InChIKeyWSLTVPRTGFEKPN-UHFFFAOYSA-N
XLogP1.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide
CID 94279895
3-[ethyl-(3-fluoro-4-methoxybenzoyl)amino]propanoic acid
CID 54898966
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-fluoro-4-methoxybenzamide
CID 55131775
3-fluoro-4-methoxybenzoate
CID 4251674
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione
CID 118644019
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43795984
2-fluoro-1-methoxy-4-prop-1-en-2-ylbenzene
CID 64665544
(E)-1-(3-fluoro-4-methoxyphenyl)pent-2-en-1-one
CID 103454138

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide (CID 94270213) is N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide is CCN(CC)C(=O)C(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide?
The InChIKey is WSLTVPRTGFEKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-4-15(5-2)13(17)12(16)9-6-7-11(18-3)10(14)8-9/h6-8H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide?
N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide has a molecular weight of 253.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 94270213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).