4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide

C12H16ClFN2O2 — CID 114227566

IUPAC4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide
SMILESCCOC(CN)CC(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C12H16ClFN2O2/c1-2-18-8(7-15)6-11(17)16-12-9(13)4-3-5-10(12)14/h3-5,8H,2,6-7,15H2,1H3,(H,16,17)
InChIKeySFRJCSNGQFXKOP-UHFFFAOYSA-N
MW274.72 g/mol
LogP2.17
Rot. Bonds6

About 4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide

4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide (PubChem CID 114227566) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide
PubChem CID114227566
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide
SMILESCCOC(CN)CC(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C12H16ClFN2O2/c1-2-18-8(7-15)6-11(17)16-12-9(13)4-3-5-10(12)14/h3-5,8H,2,6-7,15H2,1H3,(H,16,17)
InChIKeySFRJCSNGQFXKOP-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

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Related Compounds

4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide
CID 114227336
4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide
CID 114227270
3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide
CID 106113926
4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide
CID 114227332
4-amino-N-(6-chloropyridazin-3-yl)-3-ethoxybutanamide
CID 114227565
4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide
CID 103154278
4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide
CID 114227338
(2R)-2-amino-N-(2-chloro-6-fluorophenyl)pentanamide
CID 107570747
(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide
CID 104877858
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 65498988
3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine
CID 113318192

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide?
The IUPAC name of 4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide (CID 114227566) is 4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide.
What is the SMILES notation for 4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide?
The canonical SMILES for 4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide is CCOC(CN)CC(=O)Nc1c(F)cccc1Cl.
What is the InChIKey of 4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide?
The InChIKey is SFRJCSNGQFXKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c1-2-18-8(7-15)6-11(17)16-12-9(13)4-3-5-10(12)14/h3-5,8H,2,6-7,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide?
4-amino-N-(2-chloro-6-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-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide is sourced from PubChem (CID 114227566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).