2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide

C12H13F3N2O — CID 79749564

IUPAC2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(F)c(F)c1F)C1CCNC1
InChIInChI=1S/C12H13F3N2O/c1-17(7-4-5-16-6-7)12(18)8-2-3-9(13)11(15)10(8)14/h2-3,7,16H,4-6H2,1H3
InChIKeyKVECGXBRFSFYKC-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.54
Rot. Bonds2

About 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide

2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 79749564) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID79749564
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(F)c(F)c1F)C1CCNC1
InChIInChI=1S/C12H13F3N2O/c1-17(7-4-5-16-6-7)12(18)8-2-3-9(13)11(15)10(8)14/h2-3,7,16H,4-6H2,1H3
InChIKeyKVECGXBRFSFYKC-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.54
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

2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 79750025
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82815007
2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
CID 124517058
2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444296
2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 114018493
4-fluoro-N-methyl-2-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550411
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613896
N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
CID 119550200
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide
CID 79749886

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide (CID 79749564) is 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide is CN(C(=O)c1ccc(F)c(F)c1F)C1CCNC1.
What is the InChIKey of 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is KVECGXBRFSFYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-17(7-4-5-16-6-7)12(18)8-2-3-9(13)11(15)10(8)14/h2-3,7,16H,4-6H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide?
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 258.24 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 79749564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).