2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide

C12H14F2N2O — CID 62542167

IUPAC2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O/c13-8-3-4-10(11(14)6-8)12(17)16-7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17)
InChIKeyPVZDGEXJMCPIMD-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.45
Rot. Bonds3

About 2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide

2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 62542167) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID62542167
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O/c13-8-3-4-10(11(14)6-8)12(17)16-7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17)
InChIKeyPVZDGEXJMCPIMD-UHFFFAOYSA-N
XLogP1.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513769
2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 62322988
2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride
CID 84586603
5-fluoro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 55182007
2-fluoro-4-(4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512916
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide
CID 79749991
4,5-difluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119510965
4,5-difluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510964
2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806355
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide (CID 62542167) is 2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(NCC1CCCN1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is PVZDGEXJMCPIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-8-3-4-10(11(14)6-8)12(17)16-7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17).
What are the key properties of 2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 240.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 62542167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).