N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide

C12H15FN2O3 — CID 9224867

IUPACN-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide
SMILESCCNC(=O)CNC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C12H15FN2O3/c1-3-14-11(16)7-15-12(17)9-5-4-8(18-2)6-10(9)13/h4-6H,3,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyMHTDGVAYYHFVEY-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.70
Rot. Bonds5

About N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide

N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide (PubChem CID 9224867) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide
PubChem CID9224867
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide
SMILESCCNC(=O)CNC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C12H15FN2O3/c1-3-14-11(16)7-15-12(17)9-5-4-8(18-2)6-10(9)13/h4-6H,3,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyMHTDGVAYYHFVEY-UHFFFAOYSA-N
XLogP0.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
CID 87037221
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
N-but-2-ynyl-2-fluoro-4-methoxybenzamide
CID 103868606
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887
N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide
CID 102884002
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide
CID 102885225
N-[2-(ethylamino)-2-oxoethyl]-2,4,5-trimethoxybenzamide
CID 9224367
N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide
CID 103658335
2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 102882104

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide (CID 9224867) is N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide is CCNC(=O)CNC(=O)c1ccc(OC)cc1F.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide?
The InChIKey is MHTDGVAYYHFVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-3-14-11(16)7-15-12(17)9-5-4-8(18-2)6-10(9)13/h4-6H,3,7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide?
N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide has a molecular weight of 254.26 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 9224867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).