2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide

C13H19FN2O — CID 28581707

IUPAC2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNCc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-10(2)16(3)13(17)9-15-8-11-4-6-12(14)7-5-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeySZUUEUHDKRGZGS-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.78
Rot. Bonds5

About 2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide

2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide (PubChem CID 28581707) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide
PubChem CID28581707
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNCc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-10(2)16(3)13(17)9-15-8-11-4-6-12(14)7-5-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeySZUUEUHDKRGZGS-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide
CID 54936321
2-[(4-fluorophenyl)methylamino]-N-methyl-N-phenylacetamide
CID 108997751
N,N-diethyl-2-[(4-fluorophenyl)methylamino]acetamide
CID 28581599
2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 62616475
3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide
CID 60926375
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
N-(1,1-dioxothiolan-3-yl)-2-[(4-fluorophenyl)methylamino]-N-methylacetamide
CID 108997717
2-[4-[[(4-fluorophenyl)methylamino]methyl]phenyl]propanoic acid
CID 103234637
N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 106380942
2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108997765
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 112722717
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide (CID 28581707) is 2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CNCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is SZUUEUHDKRGZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(2)16(3)13(17)9-15-8-11-4-6-12(14)7-5-11/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of 2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide?
2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 238.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 28581707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).