2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide

C11H11F3N2O — CID 79749815

IUPAC2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H11F3N2O/c12-8-2-1-7(9(13)10(8)14)11(17)16-6-3-4-15-5-6/h1-2,6,15H,3-5H2,(H,16,17)/t6-/m0/s1
InChIKeyBNWJNLDLTVOZCS-LURJTMIESA-N
MW244.22 g/mol
LogP1.20
Rot. Bonds2

About 2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide

2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 79749815) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID79749815
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H11F3N2O/c12-8-2-1-7(9(13)10(8)14)11(17)16-6-3-4-15-5-6/h1-2,6,15H,3-5H2,(H,16,17)/t6-/m0/s1
InChIKeyBNWJNLDLTVOZCS-LURJTMIESA-N
XLogP1.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
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-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451891
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 174879133
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79749208
2,3,4-trifluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564595
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 81461356

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 79749815) is 2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide is O=C(N[C@H]1CCNC1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is BNWJNLDLTVOZCS-LURJTMIESA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-8-2-1-7(9(13)10(8)14)11(17)16-6-3-4-15-5-6/h1-2,6,15H,3-5H2,(H,16,17)/t6-/m0/s1.
What are the key properties of 2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide?
2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 244.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 79749815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).