3-(6-chloro-2-methylpyrimidin-4-yl)oxy-N-(2-hydroxypropyl)benzamide

C15H16ClN3O3 — CID 56806029

IUPAC3-(6-chloro-2-methylpyrimidin-4-yl)oxy-N-(2-hydroxypropyl)benzamide
SMILESCc1nc(Cl)cc(Oc2cccc(C(=O)NCC(C)O)c2)n1
InChIInChI=1S/C15H16ClN3O3/c1-9(20)8-17-15(21)11-4-3-5-12(6-11)22-14-7-13(16)18-10(2)19-14/h3-7,9,20H,8H2,1-2H3,(H,17,21)
InChIKeyODJPHOSAWVFVFF-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.34
Rot. Bonds5

About 3-(6-chloro-2-methylpyrimidin-4-yl)oxy-N-(2-hydroxypropyl)benzamide

3-(6-chloro-2-methylpyrimidin-4-yl)oxy-N-(2-hydroxypropyl)benzamide (PubChem CID 56806029) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 3-(6-chloro-2-methylpyrimidin-4-yl)oxy-N-(2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name3-(6-chloro-2-methylpyrimidin-4-yl)oxy-N-(2-hydroxypropyl)benzamide
PubChem CID56806029
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name3-(6-chloro-2-methylpyrimidin-4-yl)oxy-N-(2-hydroxypropyl)benzamide
SMILESCc1nc(Cl)cc(Oc2cccc(C(=O)NCC(C)O)c2)n1
InChIInChI=1S/C15H16ClN3O3/c1-9(20)8-17-15(21)11-4-3-5-12(6-11)22-14-7-13(16)18-10(2)19-14/h3-7,9,20H,8H2,1-2H3,(H,17,21)
InChIKeyODJPHOSAWVFVFF-UHFFFAOYSA-N
XLogP2.34
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-methylpyrimidin-4-yl)oxy-N-(2-hydroxypropyl)benzamide?
The IUPAC name of 3-(6-chloro-2-methylpyrimidin-4-yl)oxy-N-(2-hydroxypropyl)benzamide (CID 56806029) is 3-(6-chloro-2-methylpyrimidin-4-yl)oxy-N-(2-hydroxypropyl)benzamide.
What is the SMILES notation for 3-(6-chloro-2-methylpyrimidin-4-yl)oxy-N-(2-hydroxypropyl)benzamide?
The canonical SMILES for 3-(6-chloro-2-methylpyrimidin-4-yl)oxy-N-(2-hydroxypropyl)benzamide is Cc1nc(Cl)cc(Oc2cccc(C(=O)NCC(C)O)c2)n1.
What is the InChIKey of 3-(6-chloro-2-methylpyrimidin-4-yl)oxy-N-(2-hydroxypropyl)benzamide?
The InChIKey is ODJPHOSAWVFVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-9(20)8-17-15(21)11-4-3-5-12(6-11)22-14-7-13(16)18-10(2)19-14/h3-7,9,20H,8H2,1-2H3,(H,17,21).
What are the key properties of 3-(6-chloro-2-methylpyrimidin-4-yl)oxy-N-(2-hydroxypropyl)benzamide?
3-(6-chloro-2-methylpyrimidin-4-yl)oxy-N-(2-hydroxypropyl)benzamide has a molecular weight of 321.76 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-methylpyrimidin-4-yl)oxy-N-(2-hydroxypropyl)benzamide is sourced from PubChem (CID 56806029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).