2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide

C11H13Cl2FN2O2 — CID 83079089

IUPAC2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H13Cl2FN2O2/c1-18-3-2-9(15)11(17)16-10-7(12)4-6(14)5-8(10)13/h4-5,9H,2-3,15H2,1H3,(H,16,17)
InChIKeyYMCMTGZXNMZZJW-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.43
Rot. Bonds5

About 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide

2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide (PubChem CID 83079089) has the molecular formula C11H13Cl2FN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide
PubChem CID83079089
Molecular FormulaC11H13Cl2FN2O2
Molecular Weight295.14 g/mol
Exact Mass294.03
IUPAC Name2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H13Cl2FN2O2/c1-18-3-2-9(15)11(17)16-10-7(12)4-6(14)5-8(10)13/h4-5,9H,2-3,15H2,1H3,(H,16,17)
InChIKeyYMCMTGZXNMZZJW-UHFFFAOYSA-N
XLogP2.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide
CID 62474980
2-amino-N-(2,6-dichlorophenyl)-4-methoxybutanamide
CID 65467824
2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide
CID 55081012
(2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide
CID 107146373
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide
CID 83079399
2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83088281
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83087285
(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
4-amino-5-(2-bromo-6-chloro-4-fluoroanilino)-5-oxopentanoic acid
CID 107611890
2-amino-N-(2,4,6-trichlorophenyl)pentanamide
CID 43650225
2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide
CID 83078635
N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 83078795

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide (CID 83079089) is 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide is COCCC(N)C(=O)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide?
The InChIKey is YMCMTGZXNMZZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2FN2O2/c1-18-3-2-9(15)11(17)16-10-7(12)4-6(14)5-8(10)13/h4-5,9H,2-3,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide?
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide has a molecular weight of 295.14 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide is sourced from PubChem (CID 83079089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).