2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide

C15H20F2N2O2 — CID 62053086

IUPAC2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide
SMILESCCCCN(CC(N)=O)C(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-3-4-7-19(9-14(18)20)10(2)15(21)11-5-6-12(16)13(17)8-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,18,20)
InChIKeyVHCYMNKIFMKNOQ-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.12
Rot. Bonds8

About 2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide

2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide (PubChem CID 62053086) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide
PubChem CID62053086
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide
SMILESCCCCN(CC(N)=O)C(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-3-4-7-19(9-14(18)20)10(2)15(21)11-5-6-12(16)13(17)8-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,18,20)
InChIKeyVHCYMNKIFMKNOQ-UHFFFAOYSA-N
XLogP2.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-difluorophenyl)-2-[ethyl(propyl)amino]propan-1-one
CID 43795368
2-[[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 62035540
1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794901
3-[[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]-ethylamino]propanenitrile
CID 62036685
1-(3,4-difluorophenyl)-2-hexoxypropan-1-one
CID 43800697
1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one
CID 43796194
1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one
CID 43795734
2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide
CID 62035856
2-[(2-amino-2-oxoethyl)-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 62921694
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 103103066
1-(3,4-difluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]propan-1-one
CID 79850848
1-(3,4-difluorophenyl)-2-ethoxy-3-methylbutan-1-one
CID 116708727

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide?
The IUPAC name of 2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide (CID 62053086) is 2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide?
The canonical SMILES for 2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide is CCCCN(CC(N)=O)C(C)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide?
The InChIKey is VHCYMNKIFMKNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-3-4-7-19(9-14(18)20)10(2)15(21)11-5-6-12(16)13(17)8-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,18,20).
What are the key properties of 2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide?
2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide has a molecular weight of 298.33 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide is sourced from PubChem (CID 62053086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).