4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide

C12H10FN3O2 — CID 77082981

IUPAC4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncn1)c1ccc(F)c(O)c1
InChIInChI=1S/C12H10FN3O2/c13-10-2-1-8(5-11(10)17)12(18)15-6-9-3-4-14-7-16-9/h1-5,7,17H,6H2,(H,15,18)
InChIKeyPSPYOHXEKCZCDC-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.25
Rot. Bonds3

About 4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide

4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide (PubChem CID 77082981) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide
PubChem CID77082981
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncn1)c1ccc(F)c(O)c1
InChIInChI=1S/C12H10FN3O2/c13-10-2-1-8(5-11(10)17)12(18)15-6-9-3-4-14-7-16-9/h1-5,7,17H,6H2,(H,15,18)
InChIKeyPSPYOHXEKCZCDC-UHFFFAOYSA-N
XLogP1.25
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dihydroxy-N-(pyrimidin-4-ylmethyl)benzamide
CID 114111164
N-ethyl-4-fluoro-3-hydroxybenzamide
CID 130057561
2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide
CID 114110725
2-bromo-5-chloro-N-(pyrimidin-4-ylmethyl)benzamide
CID 114111113
2-amino-5-fluoro-N-(pyrimidin-4-ylmethyl)benzamide
CID 114110306
N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide
CID 62748907
4-fluoro-3-hydroxy-N-propylbenzamide
CID 130057564
N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide
CID 62760777
2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 26318348
2,5-dibromo-N-(pyrimidin-4-ylmethyl)benzamide
CID 114111114
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide
CID 122263855
3-amino-4-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 61138905

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide (CID 77082981) is 4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide is O=C(NCc1ccncn1)c1ccc(F)c(O)c1.
What is the InChIKey of 4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide?
The InChIKey is PSPYOHXEKCZCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-10-2-1-8(5-11(10)17)12(18)15-6-9-3-4-14-7-16-9/h1-5,7,17H,6H2,(H,15,18).
What are the key properties of 4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide?
4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide has a molecular weight of 247.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide is sourced from PubChem (CID 77082981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).