2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide

C15H20F2N2O2 — CID 113166624

IUPAC2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide
SMILESCC(=O)N(CCC(C)C)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O2/c1-10(2)6-7-19(11(3)20)9-15(21)18-14-5-4-12(16)8-13(14)17/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,21)
InChIKeyAMFLIBIDQJLITE-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.80
Rot. Bonds6

About 2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide

2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide (PubChem CID 113166624) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide
PubChem CID113166624
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide
SMILESCC(=O)N(CCC(C)C)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O2/c1-10(2)6-7-19(11(3)20)9-15(21)18-14-5-4-12(16)8-13(14)17/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,21)
InChIKeyAMFLIBIDQJLITE-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 113160935
3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113116082
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 113162490
2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 113166628
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 113161524
2-(N-acetyl-2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 113179083
2-[acetyl(2-methylpropyl)amino]-N-(2-fluorophenyl)acetamide
CID 113158923
2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113166588
2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113166585
2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide
CID 113166544
2-(N-acetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167233
2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113166550

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide (CID 113166624) is 2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide is CC(=O)N(CCC(C)C)CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is AMFLIBIDQJLITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-10(2)6-7-19(11(3)20)9-15(21)18-14-5-4-12(16)8-13(14)17/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,21).
What are the key properties of 2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide?
2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 298.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 113166624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).