3-[(4-chloro-2-fluorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide

C19H14ClFN2O2 — CID 56682632

IUPAC3-[(4-chloro-2-fluorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide
SMILESNC(=O)c1cccc(C(O)(c2cccnc2)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C19H14ClFN2O2/c20-15-6-7-16(17(21)10-15)19(25,14-5-2-8-23-11-14)13-4-1-3-12(9-13)18(22)24/h1-11,25H,(H2,22,24)
InChIKeyCLUBDPXPDURZBY-UHFFFAOYSA-N
MW356.78 g/mol
LogP3.26
Rot. Bonds4

About 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide

3-[(4-chloro-2-fluorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide (PubChem CID 56682632) has the molecular formula C19H14ClFN2O2 and a molecular weight of 356.78 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide
PubChem CID56682632
Molecular FormulaC19H14ClFN2O2
Molecular Weight356.78 g/mol
Exact Mass356.07
IUPAC Name3-[(4-chloro-2-fluorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide
SMILESNC(=O)c1cccc(C(O)(c2cccnc2)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C19H14ClFN2O2/c20-15-6-7-16(17(21)10-15)19(25,14-5-2-8-23-11-14)13-4-1-3-12(9-13)18(22)24/h1-11,25H,(H2,22,24)
InChIKeyCLUBDPXPDURZBY-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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Related Compounds

(4-Chloro-phenyl)-pyridin-3-yl-(3-trifluoromethyl-phenyl)-methanol: (Hydrochloride)
CID 44356977
(4-Chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol
CID 56668900
(4-Chlorophenyl)-(2-fluorophenyl)-pyridin-3-ylmethanol
CID 56669183
4-[Hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 56669308
3-[(4-Chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide
CID 56672796
(4-Chlorophenyl)-(2,4-difluorophenyl)-pyridin-3-ylmethanol
CID 56675888
2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[5-(1-hydroxyethyl)-2-pyridinyl]benzamide
CID 56679127
3-[Hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 56679203
(4-Chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol
CID 56679447
Bis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol
CID 56682755
3-(4-chlorophenyl)-5-(2-hydroxypropan-2-yl)-N-[(1R)-1-[1-oxido-6-(trifluoromethyl)pyridin-1-ium-3-yl]ethyl]benzamide
CID 145968160
N-[4-(2-Chloro-phenyl)-pyridin-3-yl]-3-(1-hydroxy-1-methyl-ethyl)-N-methyl-5-trifluoromethyl-benzamide
CID 70663326

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide?
The IUPAC name of 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide (CID 56682632) is 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide?
The canonical SMILES for 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide is NC(=O)c1cccc(C(O)(c2cccnc2)c2ccc(Cl)cc2F)c1.
What is the InChIKey of 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide?
The InChIKey is CLUBDPXPDURZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O2/c20-15-6-7-16(17(21)10-15)19(25,14-5-2-8-23-11-14)13-4-1-3-12(9-13)18(22)24/h1-11,25H,(H2,22,24).
What are the key properties of 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide?
3-[(4-chloro-2-fluorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide 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 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide is sourced from PubChem (CID 56682632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).