2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide

C18H18F2N2O2 — CID 113169203

IUPAC2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1ccc(F)c(F)c1)C(C)=O
InChIInChI=1S/C18H18F2N2O2/c1-3-13-6-4-5-7-17(13)22(12(2)23)11-18(24)21-14-8-9-15(19)16(20)10-14/h4-10H,3,11H2,1-2H3,(H,21,24)
InChIKeyVGJHDEVHDURTDA-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.52
Rot. Bonds5

About 2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide

2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide (PubChem CID 113169203) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide
PubChem CID113169203
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1ccc(F)c(F)c1)C(C)=O
InChIInChI=1S/C18H18F2N2O2/c1-3-13-6-4-5-7-17(13)22(12(2)23)11-18(24)21-14-8-9-15(19)16(20)10-14/h4-10H,3,11H2,1-2H3,(H,21,24)
InChIKeyVGJHDEVHDURTDA-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113169742
2-(N-acetyl-2-ethylanilino)-N-phenylacetamide
CID 113169100
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113171824
2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 113169176
methyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate
CID 113169158
2-(N-acetyl-2-fluoroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 113170882
2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113170871
2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180172
2-(N-acetyl-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 113170796
N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964034
2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide
CID 113181652
2-(N-acetyl-2-ethylanilino)-N-(2-methylphenyl)acetamide
CID 113169101

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide (CID 113169203) is 2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide is CCc1ccccc1N(CC(=O)Nc1ccc(F)c(F)c1)C(C)=O.
What is the InChIKey of 2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is VGJHDEVHDURTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-3-13-6-4-5-7-17(13)22(12(2)23)11-18(24)21-14-8-9-15(19)16(20)10-14/h4-10H,3,11H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide?
2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 332.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 113169203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).