2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide

C13H16F2N2O — CID 82815007

IUPAC2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)C2CCNC2)c1F
InChIInChI=1S/C13H16F2N2O/c1-8-3-4-10(14)11(12(8)15)13(18)17(2)9-5-6-16-7-9/h3-4,9,16H,5-7H2,1-2H3
InChIKeyFQLYVICMGUUVNY-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.71
Rot. Bonds2

About 2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide

2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 82815007) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
PubChem CID82815007
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)C2CCNC2)c1F
InChIInChI=1S/C13H16F2N2O/c1-8-3-4-10(14)11(12(8)15)13(18)17(2)9-5-6-16-7-9/h3-4,9,16H,5-7H2,1-2H3
InChIKeyFQLYVICMGUUVNY-UHFFFAOYSA-N
XLogP1.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N,3-dimethyl-N-piperidin-4-ylbenzamide
CID 82816537
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564
N-ethyl-2,6-difluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 82816613
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 60806728
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
CID 124517058
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide
CID 102634808
N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
CID 119550200
N,2-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119554205

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide (CID 82815007) is 2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide is Cc1ccc(F)c(C(=O)N(C)C2CCNC2)c1F.
What is the InChIKey of 2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is FQLYVICMGUUVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8-3-4-10(14)11(12(8)15)13(18)17(2)9-5-6-16-7-9/h3-4,9,16H,5-7H2,1-2H3.
What are the key properties of 2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide?
2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 254.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 82815007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).