2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide

C16H14ClFN2O2 — CID 9079945

IUPAC2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)c1ccc(NCC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-10(21)11-2-4-12(5-3-11)19-9-16(22)20-13-6-7-15(18)14(17)8-13/h2-8,19H,9H2,1H3,(H,20,22)
InChIKeyZLAHHDWNDBFKIK-UHFFFAOYSA-N
MW320.75 g/mol
LogP3.73
Rot. Bonds5

About 2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide

2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 9079945) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID9079945
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC Name2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)c1ccc(NCC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-10(21)11-2-4-12(5-3-11)19-9-16(22)20-13-6-7-15(18)14(17)8-13/h2-8,19H,9H2,1H3,(H,20,22)
InChIKeyZLAHHDWNDBFKIK-UHFFFAOYSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide
CID 54811423
2-(4-acetylanilino)-N-(2-chloro-4-fluorophenyl)acetamide
CID 26416052
N-(3-chloro-4-fluorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822297
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 9099614
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
CID 9098972
4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 2634671
2-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008699
N-[3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54818383

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide (CID 9079945) is 2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide is CC(=O)c1ccc(NCC(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is ZLAHHDWNDBFKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c1-10(21)11-2-4-12(5-3-11)19-9-16(22)20-13-6-7-15(18)14(17)8-13/h2-8,19H,9H2,1H3,(H,20,22).
What are the key properties of 2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 320.75 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 9079945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).