2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide

C20H17F2N3O2 — CID 129027649

IUPAC2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide
SMILESCc1c(F)cccc1Cc1nc(-c2ccc(F)cc2)ncc1CC(=O)NO
InChIInChI=1S/C20H17F2N3O2/c1-12-14(3-2-4-17(12)22)9-18-15(10-19(26)25-27)11-23-20(24-18)13-5-7-16(21)8-6-13/h2-8,11,27H,9-10H2,1H3,(H,25,26)
InChIKeyWPWNFNBMPRXDBL-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.37
Rot. Bonds5

About 2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide

2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide (PubChem CID 129027649) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide
PubChem CID129027649
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide
SMILESCc1c(F)cccc1Cc1nc(-c2ccc(F)cc2)ncc1CC(=O)NO
InChIInChI=1S/C20H17F2N3O2/c1-12-14(3-2-4-17(12)22)9-18-15(10-19(26)25-27)11-23-20(24-18)13-5-7-16(21)8-6-13/h2-8,11,27H,9-10H2,1H3,(H,25,26)
InChIKeyWPWNFNBMPRXDBL-UHFFFAOYSA-N
XLogP3.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide (CID 129027649) is 2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide is Cc1c(F)cccc1Cc1nc(-c2ccc(F)cc2)ncc1CC(=O)NO.
What is the InChIKey of 2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide?
The InChIKey is WPWNFNBMPRXDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-12-14(3-2-4-17(12)22)9-18-15(10-19(26)25-27)11-23-20(24-18)13-5-7-16(21)8-6-13/h2-8,11,27H,9-10H2,1H3,(H,25,26).
What are the key properties of 2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide?
2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide has a molecular weight of 369.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide is sourced from PubChem (CID 129027649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).