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

C19H15ClN2O2 — CID 56672796

IUPAC3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide
SMILESNC(=O)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C19H15ClN2O2/c20-17-8-6-14(7-9-17)19(24,16-5-2-10-22-12-16)15-4-1-3-13(11-15)18(21)23/h1-12,24H,(H2,21,23)
InChIKeyQMPWQUOZXONFKZ-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.12
Rot. Bonds4

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

3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide (PubChem CID 56672796) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide
PubChem CID56672796
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide
SMILESNC(=O)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C19H15ClN2O2/c20-17-8-6-14(7-9-17)19(24,16-5-2-10-22-12-16)15-4-1-3-13(11-15)18(21)23/h1-12,24H,(H2,21,23)
InChIKeyQMPWQUOZXONFKZ-UHFFFAOYSA-N
XLogP3.12
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide?
The IUPAC name of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide (CID 56672796) is 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide is NC(=O)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide?
The InChIKey is QMPWQUOZXONFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-17-8-6-14(7-9-17)19(24,16-5-2-10-22-12-16)15-4-1-3-13(11-15)18(21)23/h1-12,24H,(H2,21,23).
What are the key properties of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide?
3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide has a molecular weight of 338.79 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide is sourced from PubChem (CID 56672796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).