3-[(4-chloro-2-fluorophenyl)-hydroxy-pyrimidin-5-ylmethyl]benzamide

C18H13ClFN3O2 — CID 56682511

IUPAC3-[(4-chloro-2-fluorophenyl)-hydroxy-pyrimidin-5-ylmethyl]benzamide
SMILESNC(=O)c1cccc(C(O)(c2cncnc2)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C18H13ClFN3O2/c19-14-4-5-15(16(20)7-14)18(25,13-8-22-10-23-9-13)12-3-1-2-11(6-12)17(21)24/h1-10,25H,(H2,21,24)
InChIKeyGQAAMYYFJIPREV-UHFFFAOYSA-N
MW357.77 g/mol
LogP2.65
Rot. Bonds4

About 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyrimidin-5-ylmethyl]benzamide

3-[(4-chloro-2-fluorophenyl)-hydroxy-pyrimidin-5-ylmethyl]benzamide (PubChem CID 56682511) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyrimidin-5-ylmethyl]benzamide.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenyl)-hydroxy-pyrimidin-5-ylmethyl]benzamide
PubChem CID56682511
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name3-[(4-chloro-2-fluorophenyl)-hydroxy-pyrimidin-5-ylmethyl]benzamide
SMILESNC(=O)c1cccc(C(O)(c2cncnc2)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C18H13ClFN3O2/c19-14-4-5-15(16(20)7-14)18(25,13-8-22-10-23-9-13)12-3-1-2-11(6-12)17(21)24/h1-10,25H,(H2,21,24)
InChIKeyGQAAMYYFJIPREV-UHFFFAOYSA-N
XLogP2.65
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyrimidin-5-ylmethyl]benzamide?
The IUPAC name of 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyrimidin-5-ylmethyl]benzamide (CID 56682511) is 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyrimidin-5-ylmethyl]benzamide.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyrimidin-5-ylmethyl]benzamide?
The canonical SMILES for 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyrimidin-5-ylmethyl]benzamide is NC(=O)c1cccc(C(O)(c2cncnc2)c2ccc(Cl)cc2F)c1.
What is the InChIKey of 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyrimidin-5-ylmethyl]benzamide?
The InChIKey is GQAAMYYFJIPREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c19-14-4-5-15(16(20)7-14)18(25,13-8-22-10-23-9-13)12-3-1-2-11(6-12)17(21)24/h1-10,25H,(H2,21,24).
What are the key properties of 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyrimidin-5-ylmethyl]benzamide?
3-[(4-chloro-2-fluorophenyl)-hydroxy-pyrimidin-5-ylmethyl]benzamide has a molecular weight of 357.77 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-fluorophenyl)-hydroxy-pyrimidin-5-ylmethyl]benzamide is sourced from PubChem (CID 56682511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).