N-hydroxy-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]benzamide

C19H17N3O4 — CID 141395338

IUPACN-hydroxy-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]benzamide
SMILESCOc1ccc(-c2ccnc(OCc3ccc(C(=O)NO)cc3)n2)cc1
InChIInChI=1S/C19H17N3O4/c1-25-16-8-6-14(7-9-16)17-10-11-20-19(21-17)26-12-13-2-4-15(5-3-13)18(23)22-24/h2-11,24H,12H2,1H3,(H,22,23)
InChIKeyNBQIZQHPJLZRLK-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.85
Rot. Bonds6

About N-hydroxy-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]benzamide

N-hydroxy-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]benzamide (PubChem CID 141395338) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-hydroxy-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]benzamide
PubChem CID141395338
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-hydroxy-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]benzamide
SMILESCOc1ccc(-c2ccnc(OCc3ccc(C(=O)NO)cc3)n2)cc1
InChIInChI=1S/C19H17N3O4/c1-25-16-8-6-14(7-9-16)17-10-11-20-19(21-17)26-12-13-2-4-15(5-3-13)18(23)22-24/h2-11,24H,12H2,1H3,(H,22,23)
InChIKeyNBQIZQHPJLZRLK-UHFFFAOYSA-N
XLogP2.85
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-hydroxy-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]benzamide?
The IUPAC name of N-hydroxy-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]benzamide (CID 141395338) is N-hydroxy-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]benzamide is COc1ccc(-c2ccnc(OCc3ccc(C(=O)NO)cc3)n2)cc1.
What is the InChIKey of N-hydroxy-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]benzamide?
The InChIKey is NBQIZQHPJLZRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-25-16-8-6-14(7-9-16)17-10-11-20-19(21-17)26-12-13-2-4-15(5-3-13)18(23)22-24/h2-11,24H,12H2,1H3,(H,22,23).
What are the key properties of N-hydroxy-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]benzamide?
N-hydroxy-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]benzamide has a molecular weight of 351.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]benzamide is sourced from PubChem (CID 141395338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).