2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide

C15H20F2N2O — CID 64824759

IUPAC2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)C1CCCC1N
InChIInChI=1S/C15H20F2N2O/c1-9(10-6-7-12(16)13(17)8-10)19(2)15(20)11-4-3-5-14(11)18/h6-9,11,14H,3-5,18H2,1-2H3
InChIKeyKWQLXZVISDIARM-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.61
Rot. Bonds3

About 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide

2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 64824759) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
PubChem CID64824759
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)C1CCCC1N
InChIInChI=1S/C15H20F2N2O/c1-9(10-6-7-12(16)13(17)8-10)19(2)15(20)11-4-3-5-14(11)18/h6-9,11,14H,3-5,18H2,1-2H3
InChIKeyKWQLXZVISDIARM-UHFFFAOYSA-N
XLogP2.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806
4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide
CID 66240658
2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 114997863
4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 80542917
1-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119906682
2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide
CID 78897751
tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788322
2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 79345147
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
5-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylcarbamoyl]furan-2-carboxylic acid
CID 99851696
2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide
CID 65230074
5-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylcarbamoyl]furan-2-carboxylic acid
CID 99851695

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide (CID 64824759) is 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide is CC(c1ccc(F)c(F)c1)N(C)C(=O)C1CCCC1N.
What is the InChIKey of 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is KWQLXZVISDIARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-9(10-6-7-12(16)13(17)8-10)19(2)15(20)11-4-3-5-14(11)18/h6-9,11,14H,3-5,18H2,1-2H3.
What are the key properties of 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide?
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 64824759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).