(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride

C12H15ClF2N2O — CID 163269820

IUPAC(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESC[C@@H]1NCC[C@@H]1C(=O)Nc1ccc(F)c(F)c1.Cl
InChIInChI=1S/C12H14F2N2O.ClH/c1-7-9(4-5-15-7)12(17)16-8-2-3-10(13)11(14)6-8;/h2-3,6-7,9,15H,4-5H2,1H3,(H,16,17);1H/t7-,9-;/m0./s1
InChIKeyUALJESHVLLLNOV-KUSKTZOESA-N
MW276.71 g/mol
LogP2.32
Rot. Bonds2

About (2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride

(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 163269820) has the molecular formula C12H15ClF2N2O and a molecular weight of 276.71 g/mol. Its IUPAC name is (2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID163269820
Molecular FormulaC12H15ClF2N2O
Molecular Weight276.71 g/mol
Exact Mass276.08
IUPAC Name(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESC[C@@H]1NCC[C@@H]1C(=O)Nc1ccc(F)c(F)c1.Cl
InChIInChI=1S/C12H14F2N2O.ClH/c1-7-9(4-5-15-7)12(17)16-8-2-3-10(13)11(14)6-8;/h2-3,6-7,9,15H,4-5H2,1H3,(H,16,17);1H/t7-,9-;/m0./s1
InChIKeyUALJESHVLLLNOV-KUSKTZOESA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.71
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388149
(2S,3S)-2-methyl-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;sulfane;hydrochloride
CID 162132491
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751
N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378855
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382988
N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388750
N-(4-bromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382667
2-methyl-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 79383303
2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 79378348

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride (CID 163269820) is (2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride is C[C@@H]1NCC[C@@H]1C(=O)Nc1ccc(F)c(F)c1.Cl.
What is the InChIKey of (2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is UALJESHVLLLNOV-KUSKTZOESA-N. The full InChI is InChI=1S/C12H14F2N2O.ClH/c1-7-9(4-5-15-7)12(17)16-8-2-3-10(13)11(14)6-8;/h2-3,6-7,9,15H,4-5H2,1H3,(H,16,17);1H/t7-,9-;/m0./s1.
What are the key properties of (2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride?
(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 276.71 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 163269820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).