4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzamide

C19H14ClFN2O2 — CID 56679067

IUPAC4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c(F)c1
InChIInChI=1S/C19H14ClFN2O2/c20-15-6-4-13(5-7-15)19(25,14-2-1-9-23-11-14)16-8-3-12(18(22)24)10-17(16)21/h1-11,25H,(H2,22,24)
InChIKeyXXGCSAYAFWRPDV-UHFFFAOYSA-N
MW356.78 g/mol
LogP3.26
Rot. Bonds4

About 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzamide

4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzamide (PubChem CID 56679067) has the molecular formula C19H14ClFN2O2 and a molecular weight of 356.78 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzamide
PubChem CID56679067
Molecular FormulaC19H14ClFN2O2
Molecular Weight356.78 g/mol
Exact Mass356.07
IUPAC Name4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c(F)c1
InChIInChI=1S/C19H14ClFN2O2/c20-15-6-4-13(5-7-15)19(25,14-2-1-9-23-11-14)16-8-3-12(18(22)24)10-17(16)21/h1-11,25H,(H2,22,24)
InChIKeyXXGCSAYAFWRPDV-UHFFFAOYSA-N
XLogP3.26
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzamide?
The IUPAC name of 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzamide (CID 56679067) is 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzamide is NC(=O)c1ccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c(F)c1.
What is the InChIKey of 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzamide?
The InChIKey is XXGCSAYAFWRPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O2/c20-15-6-4-13(5-7-15)19(25,14-2-1-9-23-11-14)16-8-3-12(18(22)24)10-17(16)21/h1-11,25H,(H2,22,24).
What are the key properties of 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzamide?
4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzamide has a molecular weight of 356.78 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzamide is sourced from PubChem (CID 56679067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).