N-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-3-formamido-2-hydroxybenzamide

C19H15FN4O4 — CID 18736689

IUPACN-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-3-formamido-2-hydroxybenzamide
SMILESCc1cc(Oc2ccc(NC(=O)c3cccc(NC=O)c3O)cc2)nc(F)n1
InChIInChI=1S/C19H15FN4O4/c1-11-9-16(24-19(20)22-11)28-13-7-5-12(6-8-13)23-18(27)14-3-2-4-15(17(14)26)21-10-25/h2-10,26H,1H3,(H,21,25)(H,23,27)
InChIKeyBDMJOJDFWCOSPO-UHFFFAOYSA-N
MW382.35 g/mol
LogP3.24
Rot. Bonds6

About N-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-3-formamido-2-hydroxybenzamide

N-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-3-formamido-2-hydroxybenzamide (PubChem CID 18736689) has the molecular formula C19H15FN4O4 and a molecular weight of 382.35 g/mol. Its IUPAC name is N-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-3-formamido-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-3-formamido-2-hydroxybenzamide
PubChem CID18736689
Molecular FormulaC19H15FN4O4
Molecular Weight382.35 g/mol
Exact Mass382.11
IUPAC NameN-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-3-formamido-2-hydroxybenzamide
SMILESCc1cc(Oc2ccc(NC(=O)c3cccc(NC=O)c3O)cc2)nc(F)n1
InChIInChI=1S/C19H15FN4O4/c1-11-9-16(24-19(20)22-11)28-13-7-5-12(6-8-13)23-18(27)14-3-2-4-15(17(14)26)21-10-25/h2-10,26H,1H3,(H,21,25)(H,23,27)
InChIKeyBDMJOJDFWCOSPO-UHFFFAOYSA-N
XLogP3.24
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

US9617225, Example 131
CID 89978853
US9617225, Example 130
CID 89978895
US9617225, Example 112
CID 89978982
US9617225, Example 127
CID 89979225
US9617225, Example 141
CID 89979298
US9617225, Example 147
CID 89979376
US9617225, Example 128
CID 89979438
US9617225, Example 145
CID 89979486
US9617225, Example 142
CID 89979796
US9617225, Example 143
CID 89980023
US9617225, Example 137
CID 89978981
US9617225, Example 148
CID 89979041

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-3-formamido-2-hydroxybenzamide?
The IUPAC name of N-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-3-formamido-2-hydroxybenzamide (CID 18736689) is N-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-3-formamido-2-hydroxybenzamide.
What is the SMILES notation for N-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-3-formamido-2-hydroxybenzamide?
The canonical SMILES for N-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-3-formamido-2-hydroxybenzamide is Cc1cc(Oc2ccc(NC(=O)c3cccc(NC=O)c3O)cc2)nc(F)n1.
What is the InChIKey of N-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-3-formamido-2-hydroxybenzamide?
The InChIKey is BDMJOJDFWCOSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4/c1-11-9-16(24-19(20)22-11)28-13-7-5-12(6-8-13)23-18(27)14-3-2-4-15(17(14)26)21-10-25/h2-10,26H,1H3,(H,21,25)(H,23,27).
What are the key properties of N-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-3-formamido-2-hydroxybenzamide?
N-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-3-formamido-2-hydroxybenzamide has a molecular weight of 382.35 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-3-formamido-2-hydroxybenzamide is sourced from PubChem (CID 18736689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).