2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C12H15ClF2N2O — CID 119449965

IUPAC2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCNC2)c(F)cc1F.Cl
InChIInChI=1S/C12H14F2N2O.ClH/c1-7-4-9(11(14)5-10(7)13)12(17)16-8-2-3-15-6-8;/h4-5,8,15H,2-3,6H2,1H3,(H,16,17);1H
InChIKeyOOLAUVGQCIAIFC-UHFFFAOYSA-N
MW276.71 g/mol
LogP1.79
Rot. Bonds2

About 2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119449965) has the molecular formula C12H15ClF2N2O and a molecular weight of 276.71 g/mol. Its IUPAC name is 2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119449965
Molecular FormulaC12H15ClF2N2O
Molecular Weight276.71 g/mol
Exact Mass276.08
IUPAC Name2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCNC2)c(F)cc1F.Cl
InChIInChI=1S/C12H14F2N2O.ClH/c1-7-4-9(11(14)5-10(7)13)12(17)16-8-2-3-15-6-8;/h4-5,8,15H,2-3,6H2,1H3,(H,16,17);1H
InChIKeyOOLAUVGQCIAIFC-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386244
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide
CID 122590890
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 174879133
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451891
4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451440
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide
CID 82771489
4-methyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 79808924
2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79749815

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119449965) is 2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cc1cc(C(=O)NC2CCNC2)c(F)cc1F.Cl.
What is the InChIKey of 2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is OOLAUVGQCIAIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O.ClH/c1-7-4-9(11(14)5-10(7)13)12(17)16-8-2-3-15-6-8;/h4-5,8,15H,2-3,6H2,1H3,(H,16,17);1H.
What are the key properties of 2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 276.71 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119449965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).