2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide

C14H18F2N2O — CID 78918066

IUPAC2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(F)c1F)N1CCCC1
InChIInChI=1S/C14H18F2N2O/c1-10(18-7-2-3-8-18)9-17-14(19)11-5-4-6-12(15)13(11)16/h4-6,10H,2-3,7-9H2,1H3,(H,17,19)
InChIKeyFSLLRVGKPVAHHL-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.18
Rot. Bonds4

About 2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide

2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 78918066) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
PubChem CID78918066
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(F)c1F)N1CCCC1
InChIInChI=1S/C14H18F2N2O/c1-10(18-7-2-3-8-18)9-17-14(19)11-5-4-6-12(15)13(11)16/h4-6,10H,2-3,7-9H2,1H3,(H,17,19)
InChIKeyFSLLRVGKPVAHHL-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 80718351
2-fluoro-6-hydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 104916991
2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 114344224
5-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031099
4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031098
3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 79035923
2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105387034
2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 94671216
N-(2-pyrrolidin-1-ylpropyl)-1H-indole-7-carboxamide
CID 79035908
2-chloro-4-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031094
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126
2-amino-3-nitro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 115678974

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide (CID 78918066) is 2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide is CC(CNC(=O)c1cccc(F)c1F)N1CCCC1.
What is the InChIKey of 2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is FSLLRVGKPVAHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-10(18-7-2-3-8-18)9-17-14(19)11-5-4-6-12(15)13(11)16/h4-6,10H,2-3,7-9H2,1H3,(H,17,19).
What are the key properties of 2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide?
2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 268.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 78918066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).