2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide

C13H16ClFN2O3 — CID 113159914

IUPAC2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCOCCN(CC(=O)Nc1ccc(F)c(Cl)c1)C(C)=O
InChIInChI=1S/C13H16ClFN2O3/c1-9(18)17(5-6-20-2)8-13(19)16-10-3-4-12(15)11(14)7-10/h3-4,7H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyNODCEEVJPWRJAM-UHFFFAOYSA-N
MW302.73 g/mol
LogP1.91
Rot. Bonds6

About 2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide

2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 113159914) has the molecular formula C13H16ClFN2O3 and a molecular weight of 302.73 g/mol. Its IUPAC name is 2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID113159914
Molecular FormulaC13H16ClFN2O3
Molecular Weight302.73 g/mol
Exact Mass302.08
IUPAC Name2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCOCCN(CC(=O)Nc1ccc(F)c(Cl)c1)C(C)=O
InChIInChI=1S/C13H16ClFN2O3/c1-9(18)17(5-6-20-2)8-13(19)16-10-3-4-12(15)11(14)7-10/h3-4,7H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyNODCEEVJPWRJAM-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
CID 115641285
2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113158932
N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149526
2-[acetyl(2-methoxyethyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113159904
N-(3-chloro-4-fluorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137731
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113165218
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
CID 113160562
2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180038
2-[acetyl(2-methoxyethyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113159965
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113181321
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731
2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113166842

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide (CID 113159914) is 2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide is COCCN(CC(=O)Nc1ccc(F)c(Cl)c1)C(C)=O.
What is the InChIKey of 2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is NODCEEVJPWRJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O3/c1-9(18)17(5-6-20-2)8-13(19)16-10-3-4-12(15)11(14)7-10/h3-4,7H,5-6,8H2,1-2H3,(H,16,19).
What are the key properties of 2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide?
2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 302.73 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 113159914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).