2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide

C13H14F4N2O — CID 124517058

IUPAC2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]1CCNC1
InChIInChI=1S/C13H14F4N2O/c1-19(9-4-5-18-7-9)12(20)10-6-8(13(15,16)17)2-3-11(10)14/h2-3,6,9,18H,4-5,7H2,1H3/t9-/m1/s1
InChIKeyISTPAPRYNQFLRU-SECBINFHSA-N
MW290.26 g/mol
LogP2.28
Rot. Bonds2

About 2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide

2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide (PubChem CID 124517058) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
PubChem CID124517058
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC Name2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]1CCNC1
InChIInChI=1S/C13H14F4N2O/c1-19(9-4-5-18-7-9)12(20)10-6-8(13(15,16)17)2-3-11(10)14/h2-3,6,9,18H,4-5,7H2,1H3/t9-/m1/s1
InChIKeyISTPAPRYNQFLRU-SECBINFHSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564
2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613896
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride
CID 119552569
2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82815007
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
N,5-dimethyl-N-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 124613785
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119553639
2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 79750025
5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119550146
2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 114018493

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide (CID 124517058) is 2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide is CN(C(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]1CCNC1.
What is the InChIKey of 2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is ISTPAPRYNQFLRU-SECBINFHSA-N. The full InChI is InChI=1S/C13H14F4N2O/c1-19(9-4-5-18-7-9)12(20)10-6-8(13(15,16)17)2-3-11(10)14/h2-3,6,9,18H,4-5,7H2,1H3/t9-/m1/s1.
What are the key properties of 2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide?
2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 290.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 124517058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).