1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide

C13H16F2N2O — CID 115190020

IUPAC1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CCc1cc(F)ccc1F)C(=O)C1(N)CC1
InChIInChI=1S/C13H16F2N2O/c1-17(12(18)13(16)5-6-13)7-4-9-8-10(14)2-3-11(9)15/h2-3,8H,4-7,16H2,1H3
InChIKeyIJRIOVMEKGKELO-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.46
Rot. Bonds4

About 1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide

1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 115190020) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
PubChem CID115190020
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CCc1cc(F)ccc1F)C(=O)C1(N)CC1
InChIInChI=1S/C13H16F2N2O/c1-17(12(18)13(16)5-6-13)7-4-9-8-10(14)2-3-11(9)15/h2-3,8H,4-7,16H2,1H3
InChIKeyIJRIOVMEKGKELO-UHFFFAOYSA-N
XLogP1.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190032
1-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190000
1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 119297970
2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115162189
N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141045
1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189941
N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide
CID 115159086
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
1-amino-N-methyl-N-(2-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 115190049
2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115173346
1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119278393
1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115183542

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide (CID 115190020) is 1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide is CN(CCc1cc(F)ccc1F)C(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is IJRIOVMEKGKELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-17(12(18)13(16)5-6-13)7-4-9-8-10(14)2-3-11(9)15/h2-3,8H,4-7,16H2,1H3.
What are the key properties of 1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115190020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).