N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide

C15H23FN2O2 — CID 107716470

IUPACN-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide
SMILESCCC(C)NC(=O)COc1ccc(C(C)NC)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-5-10(2)18-15(19)9-20-12-6-7-13(11(3)17-4)14(16)8-12/h6-8,10-11,17H,5,9H2,1-4H3,(H,18,19)
InChIKeyCEHJVRYLBYJKNE-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.40
Rot. Bonds7

About N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide

N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide (PubChem CID 107716470) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide
PubChem CID107716470
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide
SMILESCCC(C)NC(=O)COc1ccc(C(C)NC)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-5-10(2)18-15(19)9-20-12-6-7-13(11(3)17-4)14(16)8-12/h6-8,10-11,17H,5,9H2,1-4H3,(H,18,19)
InChIKeyCEHJVRYLBYJKNE-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide 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

2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
N-butan-2-yl-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 47449672
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
CID 107716121
N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639767
methyl 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,2-dimethylpropanoate
CID 107716503
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide
CID 107716852
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,2-dimethylpropanoic acid
CID 107716703
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
CID 2949556
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine
CID 107891171
N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide
CID 107717501

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide?
The IUPAC name of N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide (CID 107716470) is N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide?
The canonical SMILES for N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide is CCC(C)NC(=O)COc1ccc(C(C)NC)c(F)c1.
What is the InChIKey of N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide?
The InChIKey is CEHJVRYLBYJKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-5-10(2)18-15(19)9-20-12-6-7-13(11(3)17-4)14(16)8-12/h6-8,10-11,17H,5,9H2,1-4H3,(H,18,19).
What are the key properties of N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide?
N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide has a molecular weight of 282.36 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide is sourced from PubChem (CID 107716470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).