2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide

C18H18F2N2O2 — CID 113181652

IUPAC2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(C(C)=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H18F2N2O2/c1-3-13-4-6-14(7-5-13)21-18(24)11-22(12(2)23)15-8-9-16(19)17(20)10-15/h4-10H,3,11H2,1-2H3,(H,21,24)
InChIKeyVZVCEIXBKUMSJD-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.52
Rot. Bonds5

About 2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide

2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide (PubChem CID 113181652) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide
PubChem CID113181652
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(C(C)=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H18F2N2O2/c1-3-13-4-6-14(7-5-13)21-18(24)11-22(12(2)23)15-8-9-16(19)17(20)10-15/h4-10H,3,11H2,1-2H3,(H,21,24)
InChIKeyVZVCEIXBKUMSJD-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-3-fluoroanilino)-N-(4-ethylphenyl)acetamide
CID 113177666
2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide
CID 113181733
2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113181670
2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide
CID 113169317
2-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113169312
2-(N-acetyl-4-ethylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113169304
2-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113169375
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
3-(N-acetyl-3,4-difluoroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113135622
2-(N-acetyl-4-ethylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113169343
N-(4-acetamidophenyl)-2-(N-acetyl-3-fluoroanilino)acetamide
CID 113177708
2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113169203

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide (CID 113181652) is 2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN(C(C)=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide?
The InChIKey is VZVCEIXBKUMSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-3-13-4-6-14(7-5-13)21-18(24)11-22(12(2)23)15-8-9-16(19)17(20)10-15/h4-10H,3,11H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide?
2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)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-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 113181652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).