3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide

C11H15FN2O2 — CID 96672740

IUPAC3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCN)cc1F
InChIInChI=1S/C11H15FN2O2/c1-2-16-10-4-3-8(7-9(10)12)14-11(15)5-6-13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyVRUSQBSGHHCCEN-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.51
Rot. Bonds5

About 3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide

3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide (PubChem CID 96672740) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
PubChem CID96672740
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCN)cc1F
InChIInChI=1S/C11H15FN2O2/c1-2-16-10-4-3-8(7-9(10)12)14-11(15)5-6-13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyVRUSQBSGHHCCEN-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide
CID 87030944
N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 115733830
N-(4-ethoxy-3-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 110777396
N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide
CID 110777393
2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738458
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
CID 119295358
4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 115733832
2-(4-aminopiperidin-1-yl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738459
(2S)-2-amino-N-(4-ethoxy-3-fluorophenyl)-3-methylbutanamide
CID 113264021
N-(4-ethoxy-3-fluorophenyl)-2-hydroxybenzamide
CID 47314298
2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 107905692

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide?
The IUPAC name of 3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide (CID 96672740) is 3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide.
What is the SMILES notation for 3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide?
The canonical SMILES for 3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide is CCOc1ccc(NC(=O)CCN)cc1F.
What is the InChIKey of 3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide?
The InChIKey is VRUSQBSGHHCCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-2-16-10-4-3-8(7-9(10)12)14-11(15)5-6-13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide?
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide has a molecular weight of 226.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide is sourced from PubChem (CID 96672740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).