2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide

C15H20F2N2O — CID 79853913

IUPAC2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)CC1(N)CCC1
InChIInChI=1S/C15H20F2N2O/c1-10(12-8-11(16)4-5-13(12)17)19(2)14(20)9-15(18)6-3-7-15/h4-5,8,10H,3,6-7,9,18H2,1-2H3
InChIKeyQWLZZSMLGCSQOJ-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.76
Rot. Bonds4

About 2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide

2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide (PubChem CID 79853913) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide
PubChem CID79853913
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)CC1(N)CCC1
InChIInChI=1S/C15H20F2N2O/c1-10(12-8-11(16)4-5-13(12)17)19(2)14(20)9-15(18)6-3-7-15/h4-5,8,10H,3,6-7,9,18H2,1-2H3
InChIKeyQWLZZSMLGCSQOJ-UHFFFAOYSA-N
XLogP2.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 64685885
2-(1-aminocyclobutyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 79854166
3-[1-(2,5-difluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049111
2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
CID 64684210
N-[1-(2,5-difluorophenyl)ethyl]-N-methylhexanamide
CID 86925812
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119717502
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421653
ethyl 2-[[(1R)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetate
CID 94417360
N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62726518
2-(1-aminocyclobutyl)-N-[1-(1-benzofuran-2-yl)ethyl]-N-methylacetamide
CID 79844029
2,2,2-trifluoroethyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
CID 61067667
2-(1-aminocyclohexyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 64678950

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide (CID 79853913) is 2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide is CC(c1cc(F)ccc1F)N(C)C(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is QWLZZSMLGCSQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10(12-8-11(16)4-5-13(12)17)19(2)14(20)9-15(18)6-3-7-15/h4-5,8,10H,3,6-7,9,18H2,1-2H3.
What are the key properties of 2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide?
2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 282.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 79853913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).