2-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide;2-(2-fluorophenyl)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]acetamide

C38H32F2N6O4 — CID 158134805

IUPAC2-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide;2-(2-fluorophenyl)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]acetamide
SMILESCc1cnc(-c2ccc(C(C(=O)NO)c3ccccc3F)cc2)nc1.Cc1ncc(-c2ccc(C(C(=O)NO)c3ccccc3F)cc2)cn1
InChIInChI=1S/2C19H16FN3O2/c1-12-21-10-15(11-22-12)13-6-8-14(9-7-13)18(19(24)23-25)16-4-2-3-5-17(16)20;1-12-10-21-18(22-11-12)14-8-6-13(7-9-14)17(19(24)23-25)15-4-2-3-5-16(15)20/h2-11,18,25H,1H3,(H,23,24);2-11,17,25H,1H3,(H,23,24)
InChIKeyFTFJHSUXTWUVDB-UHFFFAOYSA-N
MW674.71 g/mol
LogP6.46
Rot. Bonds8

About 2-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide;2-(2-fluorophenyl)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]acetamide

2-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide;2-(2-fluorophenyl)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]acetamide (PubChem CID 158134805) has the molecular formula C38H32F2N6O4 and a molecular weight of 674.71 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide;2-(2-fluorophenyl)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide;2-(2-fluorophenyl)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]acetamide
PubChem CID158134805
Molecular FormulaC38H32F2N6O4
Molecular Weight674.71 g/mol
Exact Mass674.25
IUPAC Name2-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide;2-(2-fluorophenyl)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]acetamide
SMILESCc1cnc(-c2ccc(C(C(=O)NO)c3ccccc3F)cc2)nc1.Cc1ncc(-c2ccc(C(C(=O)NO)c3ccccc3F)cc2)cn1
InChIInChI=1S/2C19H16FN3O2/c1-12-21-10-15(11-22-12)13-6-8-14(9-7-13)18(19(24)23-25)16-4-2-3-5-17(16)20;1-12-10-21-18(22-11-12)14-8-6-13(7-9-14)17(19(24)23-25)15-4-2-3-5-16(15)20/h2-11,18,25H,1H3,(H,23,24);2-11,17,25H,1H3,(H,23,24)
InChIKeyFTFJHSUXTWUVDB-UHFFFAOYSA-N
XLogP6.46
TPSA150.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.71
LogP ≤ 56.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide;2-(2-fluorophenyl)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide;2-(2-fluorophenyl)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]acetamide (CID 158134805) is 2-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide;2-(2-fluorophenyl)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide;2-(2-fluorophenyl)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide;2-(2-fluorophenyl)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]acetamide is Cc1cnc(-c2ccc(C(C(=O)NO)c3ccccc3F)cc2)nc1.Cc1ncc(-c2ccc(C(C(=O)NO)c3ccccc3F)cc2)cn1.
What is the InChIKey of 2-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide;2-(2-fluorophenyl)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]acetamide?
The InChIKey is FTFJHSUXTWUVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16FN3O2/c1-12-21-10-15(11-22-12)13-6-8-14(9-7-13)18(19(24)23-25)16-4-2-3-5-17(16)20;1-12-10-21-18(22-11-12)14-8-6-13(7-9-14)17(19(24)23-25)15-4-2-3-5-16(15)20/h2-11,18,25H,1H3,(H,23,24);2-11,17,25H,1H3,(H,23,24).
What are the key properties of 2-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide;2-(2-fluorophenyl)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]acetamide?
2-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide;2-(2-fluorophenyl)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]acetamide has a molecular weight of 674.71 g/mol, XLogP of 6.46, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide;2-(2-fluorophenyl)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 158134805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).