2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide

C14H20F2N2O — CID 62616475

IUPAC2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNCCc1cc(F)cc(F)c1
InChIInChI=1S/C14H20F2N2O/c1-10(2)18(3)14(19)9-17-5-4-11-6-12(15)8-13(16)7-11/h6-8,10,17H,4-5,9H2,1-3H3
InChIKeyYJQMRVJFLNENJJ-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.96
Rot. Bonds6

About 2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide

2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide (PubChem CID 62616475) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
PubChem CID62616475
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNCCc1cc(F)cc(F)c1
InChIInChI=1S/C14H20F2N2O/c1-10(2)18(3)14(19)9-17-5-4-11-6-12(15)8-13(16)7-11/h6-8,10,17H,4-5,9H2,1-3H3
InChIKeyYJQMRVJFLNENJJ-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106400868
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 28577893
2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide
CID 28581707
N-methyl-N-propan-2-yl-2-(2-pyridin-2-ylethylamino)acetamide
CID 28579267
2-(2-acetamidoethylamino)-N-methyl-N-propan-2-ylacetamide
CID 43401676
3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide
CID 43553529
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 109000424
N-[2-(3,5-difluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 114525148
3-[2-(3,5-difluorophenyl)ethylamino]propanamide
CID 62605689
2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 62616300
2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide
CID 55094162
2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide
CID 103249006

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide (CID 62616475) is 2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CNCCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is YJQMRVJFLNENJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-10(2)18(3)14(19)9-17-5-4-11-6-12(15)8-13(16)7-11/h6-8,10,17H,4-5,9H2,1-3H3.
What are the key properties of 2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide?
2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 270.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 62616475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).