2-(dimethylamino)-N-[1-(2,4,6-trifluorophenyl)cyclopropyl]acetamide

C13H15F3N2O — CID 110479858

IUPAC2-(dimethylamino)-N-[1-(2,4,6-trifluorophenyl)cyclopropyl]acetamide
SMILESCN(C)CC(=O)NC1(c2c(F)cc(F)cc2F)CC1
InChIInChI=1S/C13H15F3N2O/c1-18(2)7-11(19)17-13(3-4-13)12-9(15)5-8(14)6-10(12)16/h5-6H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyRCMUKUXIOLEAJP-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.77
Rot. Bonds4

About 2-(dimethylamino)-N-[1-(2,4,6-trifluorophenyl)cyclopropyl]acetamide

2-(dimethylamino)-N-[1-(2,4,6-trifluorophenyl)cyclopropyl]acetamide (PubChem CID 110479858) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1-(2,4,6-trifluorophenyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[1-(2,4,6-trifluorophenyl)cyclopropyl]acetamide
PubChem CID110479858
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name2-(dimethylamino)-N-[1-(2,4,6-trifluorophenyl)cyclopropyl]acetamide
SMILESCN(C)CC(=O)NC1(c2c(F)cc(F)cc2F)CC1
InChIInChI=1S/C13H15F3N2O/c1-18(2)7-11(19)17-13(3-4-13)12-9(15)5-8(14)6-10(12)16/h5-6H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyRCMUKUXIOLEAJP-UHFFFAOYSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, 2-(diethylamino)-N-(phenylmethyl)-
CID 969777
2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
CID 209462
2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 4963907
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 16283470
N-benzyl-2-(methylamino)acetamide
CID 9815393
2-[(3-fluorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4877608
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide
CID 4883659
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-phenylbutan-2-yl)acetamide
CID 4883719
Acetamide, 2-(diethylamino)-N-(1-phenylethyl)-, (S)-
CID 215810
Acetamide, 2-(propylamino)-N-(alpha,alpha,p-trimethylbenzyl)-
CID 33351
L-Alaninamide, N,N-diethylglycyl-N-(1-methyl-1-phenylethyl)-
CID 3063799
2-[4-Acetylamino-4-(3-fluoro-phenyl)-piperidin-1-yl]-N-cyclohexyl-acetamide
CID 647937

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[1-(2,4,6-trifluorophenyl)cyclopropyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[1-(2,4,6-trifluorophenyl)cyclopropyl]acetamide (CID 110479858) is 2-(dimethylamino)-N-[1-(2,4,6-trifluorophenyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[1-(2,4,6-trifluorophenyl)cyclopropyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[1-(2,4,6-trifluorophenyl)cyclopropyl]acetamide is CN(C)CC(=O)NC1(c2c(F)cc(F)cc2F)CC1.
What is the InChIKey of 2-(dimethylamino)-N-[1-(2,4,6-trifluorophenyl)cyclopropyl]acetamide?
The InChIKey is RCMUKUXIOLEAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-18(2)7-11(19)17-13(3-4-13)12-9(15)5-8(14)6-10(12)16/h5-6H,3-4,7H2,1-2H3,(H,17,19).
What are the key properties of 2-(dimethylamino)-N-[1-(2,4,6-trifluorophenyl)cyclopropyl]acetamide?
2-(dimethylamino)-N-[1-(2,4,6-trifluorophenyl)cyclopropyl]acetamide has a molecular weight of 272.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[1-(2,4,6-trifluorophenyl)cyclopropyl]acetamide is sourced from PubChem (CID 110479858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).