N-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide

C16H22F2N2O — CID 46527777

IUPACN-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide
SMILESCC(c1ccc(F)c(F)c1)N(C)CC(=O)NC1CCCC1
InChIInChI=1S/C16H22F2N2O/c1-11(12-7-8-14(17)15(18)9-12)20(2)10-16(21)19-13-5-3-4-6-13/h7-9,11,13H,3-6,10H2,1-2H3,(H,19,21)
InChIKeyXEYHMIXSIRMPFK-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.02
Rot. Bonds5

About N-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide

N-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide (PubChem CID 46527777) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide
PubChem CID46527777
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide
SMILESCC(c1ccc(F)c(F)c1)N(C)CC(=O)NC1CCCC1
InChIInChI=1S/C16H22F2N2O/c1-11(12-7-8-14(17)15(18)9-12)20(2)10-16(21)19-13-5-3-4-6-13/h7-9,11,13H,3-6,10H2,1-2H3,(H,19,21)
InChIKeyXEYHMIXSIRMPFK-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 46620951
N-(5-chloro-2-methoxyphenyl)-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide
CID 46512444
N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
CID 110911083
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(3,4-difluorophenyl)acetamide
CID 46573825
3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 18146670
2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913701
2-[[1-(3,4-difluorophenyl)ethyl-methylamino]methyl]furan-3-carboxylic acid
CID 146134824
3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 46573730
N-cyclohexyl-2-(3,4-difluorophenoxy)acetamide
CID 78767908
1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906794
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 60500114

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide?
The IUPAC name of N-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide (CID 46527777) is N-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide?
The canonical SMILES for N-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide is CC(c1ccc(F)c(F)c1)N(C)CC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide?
The InChIKey is XEYHMIXSIRMPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-11(12-7-8-14(17)15(18)9-12)20(2)10-16(21)19-13-5-3-4-6-13/h7-9,11,13H,3-6,10H2,1-2H3,(H,19,21).
What are the key properties of N-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide?
N-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide has a molecular weight of 296.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide is sourced from PubChem (CID 46527777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).