4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide

C12H16ClFN2O2 — CID 114227336

IUPAC4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide
SMILESCCOC(CN)CC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C12H16ClFN2O2/c1-2-18-9(7-15)6-12(17)16-11-4-3-8(13)5-10(11)14/h3-5,9H,2,6-7,15H2,1H3,(H,16,17)
InChIKeyOBBGMLPKVNSVGR-UHFFFAOYSA-N
MW274.72 g/mol
LogP2.17
Rot. Bonds6

About 4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide

4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide (PubChem CID 114227336) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide
PubChem CID114227336
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide
SMILESCCOC(CN)CC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C12H16ClFN2O2/c1-2-18-9(7-15)6-12(17)16-11-4-3-8(13)5-10(11)14/h3-5,9H,2,6-7,15H2,1H3,(H,16,17)
InChIKeyOBBGMLPKVNSVGR-UHFFFAOYSA-N
XLogP2.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide 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-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide
CID 114227566
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide
CID 114227332
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782627
4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586484
4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide
CID 114227338
4-amino-N-(6-chloropyridazin-3-yl)-3-ethoxybutanamide
CID 114227565
ethyl 2-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 8604681
4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide
CID 103155684
4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride
CID 120588070
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
CID 7774548
4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide
CID 120595674

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide?
The IUPAC name of 4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide (CID 114227336) is 4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide.
What is the SMILES notation for 4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide?
The canonical SMILES for 4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide is CCOC(CN)CC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of 4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide?
The InChIKey is OBBGMLPKVNSVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c1-2-18-9(7-15)6-12(17)16-11-4-3-8(13)5-10(11)14/h3-5,9H,2,6-7,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide?
4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide has a molecular weight of 274.72 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide is sourced from PubChem (CID 114227336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).