2,4-difluoro-6-hydroxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)benzamide

C19H20F2N2O2 — CID 71883348

IUPAC2,4-difluoro-6-hydroxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)c1c(O)cc(F)cc1F
InChIInChI=1S/C19H20F2N2O2/c20-14-10-15(21)18(17(24)11-14)19(25)22-16(12-23-8-4-5-9-23)13-6-2-1-3-7-13/h1-3,6-7,10-11,16,24H,4-5,8-9,12H2,(H,22,25)
InChIKeyHMYHZUAOJLPQOR-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.24
Rot. Bonds5

About 2,4-difluoro-6-hydroxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)benzamide

2,4-difluoro-6-hydroxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 71883348) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2,4-difluoro-6-hydroxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-6-hydroxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID71883348
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2,4-difluoro-6-hydroxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)c1c(O)cc(F)cc1F
InChIInChI=1S/C19H20F2N2O2/c20-14-10-15(21)18(17(24)11-14)19(25)22-16(12-23-8-4-5-9-23)13-6-2-1-3-7-13/h1-3,6-7,10-11,16,24H,4-5,8-9,12H2,(H,22,25)
InChIKeyHMYHZUAOJLPQOR-UHFFFAOYSA-N
XLogP3.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-hydroxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2,4-difluoro-6-hydroxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)benzamide (CID 71883348) is 2,4-difluoro-6-hydroxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2,4-difluoro-6-hydroxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2,4-difluoro-6-hydroxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)benzamide is O=C(NC(CN1CCCC1)c1ccccc1)c1c(O)cc(F)cc1F.
What is the InChIKey of 2,4-difluoro-6-hydroxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is HMYHZUAOJLPQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-14-10-15(21)18(17(24)11-14)19(25)22-16(12-23-8-4-5-9-23)13-6-2-1-3-7-13/h1-3,6-7,10-11,16,24H,4-5,8-9,12H2,(H,22,25).
What are the key properties of 2,4-difluoro-6-hydroxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
2,4-difluoro-6-hydroxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 346.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-hydroxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 71883348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).