N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide

C14H18FNO3 — CID 94278155

IUPACN-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide
SMILESCOc1ccc(F)cc1C(=O)CNC(=O)CC(C)C
InChIInChI=1S/C14H18FNO3/c1-9(2)6-14(18)16-8-12(17)11-7-10(15)4-5-13(11)19-3/h4-5,7,9H,6,8H2,1-3H3,(H,16,18)
InChIKeyHOQKNMFMKVTTSG-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.18
Rot. Bonds6

About N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide

N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide (PubChem CID 94278155) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide
PubChem CID94278155
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC NameN-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide
SMILESCOc1ccc(F)cc1C(=O)CNC(=O)CC(C)C
InChIInChI=1S/C14H18FNO3/c1-9(2)6-14(18)16-8-12(17)11-7-10(15)4-5-13(11)19-3/h4-5,7,9H,6,8H2,1-3H3,(H,16,18)
InChIKeyHOQKNMFMKVTTSG-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94270193
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110780143
5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037269
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 112999279
3-(4-aminophenyl)-1-(5-fluoro-2-methoxyphenyl)butan-1-one
CID 116612828
1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586971
1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62334675
2-butan-2-ylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43412504
2-(2,4-difluorophenyl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43224824
4-[(5-fluoro-2-methoxyphenyl)methylamino]-2-methyl-4-oxobutanoic acid
CID 115165071

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide (CID 94278155) is N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide is COc1ccc(F)cc1C(=O)CNC(=O)CC(C)C.
What is the InChIKey of N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide?
The InChIKey is HOQKNMFMKVTTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9(2)6-14(18)16-8-12(17)11-7-10(15)4-5-13(11)19-3/h4-5,7,9H,6,8H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide?
N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide has a molecular weight of 267.30 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 94278155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).