2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide

C11H14ClFN2O2 — CID 60652867

IUPAC2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFN2O2/c1-17-5-4-14-11(16)7-15-10-3-2-8(12)6-9(10)13/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyLSRZALOKSGUPNY-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.65
Rot. Bonds6

About 2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide

2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 60652867) has the molecular formula C11H14ClFN2O2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
PubChem CID60652867
Molecular FormulaC11H14ClFN2O2
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Name2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFN2O2/c1-17-5-4-14-11(16)7-15-10-3-2-8(12)6-9(10)13/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyLSRZALOKSGUPNY-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.65
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

2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241
2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 54968324
2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26507186
2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 42125979
2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347237
2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide
CID 26448563
N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943222
2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide
CID 114254580
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 61487652
2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005391
1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47032179

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide (CID 60652867) is 2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is LSRZALOKSGUPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2/c1-17-5-4-14-11(16)7-15-10-3-2-8(12)6-9(10)13/h2-3,6,15H,4-5,7H2,1H3,(H,14,16).
What are the key properties of 2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide?
2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide has a molecular weight of 260.70 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 60652867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).