3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide

C15H19F3N2O — CID 75434556

IUPAC3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CN(CC(F)(F)F)C2CCC2)c1
InChIInChI=1S/C15H19F3N2O/c1-19-14(21)12-5-2-4-11(8-12)9-20(10-15(16,17)18)13-6-3-7-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,19,21)
InChIKeyZZCSVYCNLVQHDR-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.96
Rot. Bonds5

About 3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide

3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide (PubChem CID 75434556) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide
PubChem CID75434556
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CN(CC(F)(F)F)C2CCC2)c1
InChIInChI=1S/C15H19F3N2O/c1-19-14(21)12-5-2-4-11(8-12)9-20(10-15(16,17)18)13-6-3-7-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,19,21)
InChIKeyZZCSVYCNLVQHDR-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 102873726
3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide
CID 46643223
3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 55214209
3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide
CID 8906749
3-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]benzoic acid
CID 122029039
3-[[2-carboxyethyl(cyclopropyl)amino]methyl]benzoic acid
CID 82327896
3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide
CID 46568152
3-ethyl-N-methylbenzamide
CID 59115297
2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid
CID 120517535
3-[[benzoyl(methyl)amino]methyl]-N-methylbenzamide
CID 170263663
2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide
CID 105351807
3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide
CID 62016224

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide (CID 75434556) is 3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CN(CC(F)(F)F)C2CCC2)c1.
What is the InChIKey of 3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide?
The InChIKey is ZZCSVYCNLVQHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-19-14(21)12-5-2-4-11(8-12)9-20(10-15(16,17)18)13-6-3-7-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,19,21).
What are the key properties of 3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide?
3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide has a molecular weight of 300.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 75434556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).