3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide

C13H16F2N2O — CID 113360884

IUPAC3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(F)c(F)c1)C1CCNC1
InChIInChI=1S/C13H16F2N2O/c1-8(10-4-5-16-7-10)17-13(18)9-2-3-11(14)12(15)6-9/h2-3,6,8,10,16H,4-5,7H2,1H3,(H,17,18)
InChIKeyXCIDHTXXWPCPOH-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.69
Rot. Bonds3

About 3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide

3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide (PubChem CID 113360884) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide
PubChem CID113360884
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(F)c(F)c1)C1CCNC1
InChIInChI=1S/C13H16F2N2O/c1-8(10-4-5-16-7-10)17-13(18)9-2-3-11(14)12(15)6-9/h2-3,6,8,10,16H,4-5,7H2,1H3,(H,17,18)
InChIKeyXCIDHTXXWPCPOH-UHFFFAOYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 167775279
N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977078
4-fluoro-3-methoxy-N-(1-piperidin-4-ylethyl)benzamide
CID 81283731
4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977231
3-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 43523136
1-methyl-2-oxo-N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 103793645
N-(1-piperidin-4-ylethyl)naphthalene-2-carboxamide
CID 43523229
3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523133
4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977142
2,5-difluoro-N-(1-piperidin-4-ylethyl)benzamide
CID 43523182
2-fluoro-5-methyl-N-(1-piperidin-4-ylethyl)benzamide
CID 62515843
N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119473934

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide (CID 113360884) is 3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide is CC(NC(=O)c1ccc(F)c(F)c1)C1CCNC1.
What is the InChIKey of 3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is XCIDHTXXWPCPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8(10-4-5-16-7-10)17-13(18)9-2-3-11(14)12(15)6-9/h2-3,6,8,10,16H,4-5,7H2,1H3,(H,17,18).
What are the key properties of 3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide?
3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 254.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 113360884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).