N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide

C11H13Cl2FN2O2 — CID 83078795

IUPACN-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H13Cl2FN2O2/c1-18-3-2-15-6-10(17)16-11-8(12)4-7(14)5-9(11)13/h4-5,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyRXCALPYWOJFWFM-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.31
Rot. Bonds6

About N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide

N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide (PubChem CID 83078795) has the molecular formula C11H13Cl2FN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
PubChem CID83078795
Molecular FormulaC11H13Cl2FN2O2
Molecular Weight295.14 g/mol
Exact Mass294.03
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H13Cl2FN2O2/c1-18-3-2-15-6-10(17)16-11-8(12)4-7(14)5-9(11)13/h4-5,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyRXCALPYWOJFWFM-UHFFFAOYSA-N
XLogP2.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-4-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 82830565
N-(2,6-dichloro-4-fluorophenyl)-2-(ethylamino)acetamide
CID 83078558
N-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 103808635
2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 79281586
N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281493
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone
CID 105396519
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide
CID 83079089
2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 79281641
N-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 119748317
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 78910804

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide (CID 83078795) is N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide?
The InChIKey is RXCALPYWOJFWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2FN2O2/c1-18-3-2-15-6-10(17)16-11-8(12)4-7(14)5-9(11)13/h4-5,15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide?
N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide has a molecular weight of 295.14 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 83078795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).