2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide

C11H15FN2O2 — CID 115259899

IUPAC2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide
SMILESCCOc1ccc(CNCC(N)=O)cc1F
InChIInChI=1S/C11H15FN2O2/c1-2-16-10-4-3-8(5-9(10)12)6-14-7-11(13)15/h3-5,14H,2,6-7H2,1H3,(H2,13,15)
InChIKeySEAAJTMOYRSXSC-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.80
Rot. Bonds6

About 2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide

2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide (PubChem CID 115259899) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide
PubChem CID115259899
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide
SMILESCCOc1ccc(CNCC(N)=O)cc1F
InChIInChI=1S/C11H15FN2O2/c1-2-16-10-4-3-8(5-9(10)12)6-14-7-11(13)15/h3-5,14H,2,6-7H2,1H3,(H2,13,15)
InChIKeySEAAJTMOYRSXSC-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-ethoxy-3-fluorophenyl)methylamino]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

4-[(4-ethoxy-3-fluorophenyl)methylamino]butanoic acid
CID 115218613
5-[(4-ethoxy-3-fluorophenyl)methylamino]pentanoic acid
CID 115219038
2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide
CID 115152372
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea
CID 110775057
N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide
CID 107687126
1-(4-ethoxy-3-fluorophenyl)propan-2-one
CID 82491351
4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 98033360
methyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate
CID 115128433
3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 107688867
(Z)-3-amino-2-[(4-ethoxy-3-fluorophenyl)methyl]but-2-enamide
CID 143395734
(E)-4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 115177207
ethyl 2-[(3-fluoro-4-methylphenyl)methylamino]acetate
CID 60721361

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide?
The IUPAC name of 2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide (CID 115259899) is 2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide.
What is the SMILES notation for 2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide?
The canonical SMILES for 2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide is CCOc1ccc(CNCC(N)=O)cc1F.
What is the InChIKey of 2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide?
The InChIKey is SEAAJTMOYRSXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-2-16-10-4-3-8(5-9(10)12)6-14-7-11(13)15/h3-5,14H,2,6-7H2,1H3,(H2,13,15).
What are the key properties of 2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide?
2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide has a molecular weight of 226.25 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide is sourced from PubChem (CID 115259899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).