N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide

C15H20F2N2O — CID 95345765

IUPACN-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide
SMILESCN(C)[C@@H](CNC(=O)C1CCC1)c1c(F)cccc1F
InChIInChI=1S/C15H20F2N2O/c1-19(2)13(9-18-15(20)10-5-3-6-10)14-11(16)7-4-8-12(14)17/h4,7-8,10,13H,3,5-6,9H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyNDWATKQLFWXNAO-ZDUSSCGKSA-N
MW282.33 g/mol
LogP2.48
Rot. Bonds5

About N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide

N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide (PubChem CID 95345765) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide
PubChem CID95345765
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide
SMILESCN(C)[C@@H](CNC(=O)C1CCC1)c1c(F)cccc1F
InChIInChI=1S/C15H20F2N2O/c1-19(2)13(9-18-15(20)10-5-3-6-10)14-11(16)7-4-8-12(14)17/h4,7-8,10,13H,3,5-6,9H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyNDWATKQLFWXNAO-ZDUSSCGKSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide
CID 119889376
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide
CID 43020482
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
N-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide
CID 95778239
N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 42907237
N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 51559056
N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
1-cyclopentyl-3-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-methylguanidine;hydroiodide
CID 111790947
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 63046098
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide (CID 95345765) is N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide is CN(C)[C@@H](CNC(=O)C1CCC1)c1c(F)cccc1F.
What is the InChIKey of N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide?
The InChIKey is NDWATKQLFWXNAO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-19(2)13(9-18-15(20)10-5-3-6-10)14-11(16)7-4-8-12(14)17/h4,7-8,10,13H,3,5-6,9H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide?
N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide has a molecular weight of 282.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 95345765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).