2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

C13H13Cl2F3N2O — CID 11674529

IUPAC2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1cccc(Cl)c1Cl)N(CC(F)(F)F)[C@H]1CCNC1
InChIInChI=1S/C13H13Cl2F3N2O/c14-10-3-1-2-9(11(10)15)12(21)20(7-13(16,17)18)8-4-5-19-6-8/h1-3,8,19H,4-7H2/t8-/m0/s1
InChIKeyIUTSKNRONKMGOS-QMMMGPOBSA-N
MW341.16 g/mol
LogP3.36
Rot. Bonds3

About 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 11674529) has the molecular formula C13H13Cl2F3N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID11674529
Molecular FormulaC13H13Cl2F3N2O
Molecular Weight341.16 g/mol
Exact Mass340.04
IUPAC Name2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1cccc(Cl)c1Cl)N(CC(F)(F)F)[C@H]1CCNC1
InChIInChI=1S/C13H13Cl2F3N2O/c14-10-3-1-2-9(11(10)15)12(21)20(7-13(16,17)18)8-4-5-19-6-8/h1-3,8,19H,4-7H2/t8-/m0/s1
InChIKeyIUTSKNRONKMGOS-QMMMGPOBSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide
CID 73442861
PF-184298
CID 11392888
3,4-dichloro-N-(pentan-2-yl)benzamide
CID 346721
2-chloro-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]benzamide
CID 18135532
(S)-3,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide
CID 11174494
(S)-3-chloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide
CID 11300496
(R)-3,4-dichloro-N-isopropyl-2-methyl-N-(pyrrolidin-3-yl)benzamide
CID 11301501
(S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide
CID 11336016
(S)-N-(2,3-dichlorobenzyl)-3-methyl-N-(pyrrolidin-3-yl)butanamide
CID 11500848
(R)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11544186
(S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11659664
(R)-7,8-dichloro-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
CID 11737939

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (CID 11674529) is 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1cccc(Cl)c1Cl)N(CC(F)(F)F)[C@H]1CCNC1.
What is the InChIKey of 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is IUTSKNRONKMGOS-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13Cl2F3N2O/c14-10-3-1-2-9(11(10)15)12(21)20(7-13(16,17)18)8-4-5-19-6-8/h1-3,8,19H,4-7H2/t8-/m0/s1.
What are the key properties of 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 341.16 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 11674529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).