2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide

C11H15FN2O2 — CID 114839350

IUPAC2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ccc(F)c(OC)c1
InChIInChI=1S/C11H15FN2O2/c1-7(11(15)13-2)14-8-4-5-9(12)10(6-8)16-3/h4-7,14H,1-3H3,(H,13,15)
InChIKeyZLCFIXCCBHYBQY-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.38
Rot. Bonds4

About 2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide

2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide (PubChem CID 114839350) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide
PubChem CID114839350
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ccc(F)c(OC)c1
InChIInChI=1S/C11H15FN2O2/c1-7(11(15)13-2)14-8-4-5-9(12)10(6-8)16-3/h4-7,14H,1-3H3,(H,13,15)
InChIKeyZLCFIXCCBHYBQY-UHFFFAOYSA-N
XLogP1.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 78670468
2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide
CID 113399730
3-(4-fluoro-3-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114899105
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide
CID 43380767
3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839717
2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 51248549
N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652325
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838632
N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
CID 43380765
2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide
CID 43380763

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide?
The IUPAC name of 2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide (CID 114839350) is 2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide.
What is the SMILES notation for 2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide?
The canonical SMILES for 2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide is CNC(=O)C(C)Nc1ccc(F)c(OC)c1.
What is the InChIKey of 2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide?
The InChIKey is ZLCFIXCCBHYBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(11(15)13-2)14-8-4-5-9(12)10(6-8)16-3/h4-7,14H,1-3H3,(H,13,15).
What are the key properties of 2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide?
2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide has a molecular weight of 226.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide is sourced from PubChem (CID 114839350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).