3-fluoro-4-(3-hydroxy-2-pyridinyl)-N-(1-phenylethyl)benzamide

C20H17FN2O2 — CID 143032473

IUPAC3-fluoro-4-(3-hydroxy-2-pyridinyl)-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(-c2ncccc2O)c(F)c1)c1ccccc1
InChIInChI=1S/C20H17FN2O2/c1-13(14-6-3-2-4-7-14)23-20(25)15-9-10-16(17(21)12-15)19-18(24)8-5-11-22-19/h2-13,24H,1H3,(H,23,25)
InChIKeyPPQAXBZYNDTLJD-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.08
Rot. Bonds4

About 3-fluoro-4-(3-hydroxy-2-pyridinyl)-N-(1-phenylethyl)benzamide

3-fluoro-4-(3-hydroxy-2-pyridinyl)-N-(1-phenylethyl)benzamide (PubChem CID 143032473) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 3-fluoro-4-(3-hydroxy-2-pyridinyl)-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-(3-hydroxy-2-pyridinyl)-N-(1-phenylethyl)benzamide
PubChem CID143032473
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name3-fluoro-4-(3-hydroxy-2-pyridinyl)-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(-c2ncccc2O)c(F)c1)c1ccccc1
InChIInChI=1S/C20H17FN2O2/c1-13(14-6-3-2-4-7-14)23-20(25)15-9-10-16(17(21)12-15)19-18(24)8-5-11-22-19/h2-13,24H,1H3,(H,23,25)
InChIKeyPPQAXBZYNDTLJD-UHFFFAOYSA-N
XLogP4.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-hydroxy-2-pyridinyl)-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-fluoro-4-(3-hydroxy-2-pyridinyl)-N-(1-phenylethyl)benzamide (CID 143032473) is 3-fluoro-4-(3-hydroxy-2-pyridinyl)-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-fluoro-4-(3-hydroxy-2-pyridinyl)-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-fluoro-4-(3-hydroxy-2-pyridinyl)-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(-c2ncccc2O)c(F)c1)c1ccccc1.
What is the InChIKey of 3-fluoro-4-(3-hydroxy-2-pyridinyl)-N-(1-phenylethyl)benzamide?
The InChIKey is PPQAXBZYNDTLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-13(14-6-3-2-4-7-14)23-20(25)15-9-10-16(17(21)12-15)19-18(24)8-5-11-22-19/h2-13,24H,1H3,(H,23,25).
What are the key properties of 3-fluoro-4-(3-hydroxy-2-pyridinyl)-N-(1-phenylethyl)benzamide?
3-fluoro-4-(3-hydroxy-2-pyridinyl)-N-(1-phenylethyl)benzamide has a molecular weight of 336.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-hydroxy-2-pyridinyl)-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 143032473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).