2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C12H15ClF2N2O — CID 119554382

IUPAC2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1cccc(F)c1F)C1CCNC1.Cl
InChIInChI=1S/C12H14F2N2O.ClH/c1-16(8-5-6-15-7-8)12(17)9-3-2-4-10(13)11(9)14;/h2-4,8,15H,5-7H2,1H3;1H
InChIKeyQNYKOASMZFZHKS-UHFFFAOYSA-N
MW276.71 g/mol
LogP1.82
Rot. Bonds2

About 2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119554382) has the molecular formula C12H15ClF2N2O and a molecular weight of 276.71 g/mol. Its IUPAC name is 2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119554382
Molecular FormulaC12H15ClF2N2O
Molecular Weight276.71 g/mol
Exact Mass276.08
IUPAC Name2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1cccc(F)c1F)C1CCNC1.Cl
InChIInChI=1S/C12H14F2N2O.ClH/c1-16(8-5-6-15-7-8)12(17)9-3-2-4-10(13)11(9)14;/h2-4,8,15H,5-7H2,1H3;1H
InChIKeyQNYKOASMZFZHKS-UHFFFAOYSA-N
XLogP1.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.71
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444296
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855
2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 79750025
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 60806728
2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82815007
2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 55026964
2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
CID 124517058
cis-(1R,2S)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 124613976
trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 124781032

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119554382) is 2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is CN(C(=O)c1cccc(F)c1F)C1CCNC1.Cl.
What is the InChIKey of 2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is QNYKOASMZFZHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O.ClH/c1-16(8-5-6-15-7-8)12(17)9-3-2-4-10(13)11(9)14;/h2-4,8,15H,5-7H2,1H3;1H.
What are the key properties of 2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 276.71 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119554382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).