3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

C13H15F3N2O — CID 106607828

IUPAC3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCN(CC1CCCN1)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H15F3N2O/c1-18(7-9-3-2-4-17-9)13(19)8-5-10(14)12(16)11(15)6-8/h5-6,9,17H,2-4,7H2,1H3
InChIKeyRKZUGQPLGMPJST-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.93
Rot. Bonds3

About 3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106607828) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106607828
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCN(CC1CCCN1)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H15F3N2O/c1-18(7-9-3-2-4-17-9)13(19)8-5-10(14)12(16)11(15)6-8/h5-6,9,17H,2-4,7H2,1H3
InChIKeyRKZUGQPLGMPJST-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607655
2,4,5-trifluoro-3-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607911
2,4,6-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607688
3,5-dihydroxy-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107705334
3-fluoro-N-methyl-5-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607775
3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107956374
N-methyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106607527
2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607793
2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607384
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 106607470
2,5-difluoro-N-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107122710
N-methyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 106627264

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106607828) is 3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is CN(CC1CCCN1)C(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is RKZUGQPLGMPJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-18(7-9-3-2-4-17-9)13(19)8-5-10(14)12(16)11(15)6-8/h5-6,9,17H,2-4,7H2,1H3.
What are the key properties of 3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 272.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106607828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).