3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide

C18H15N3O3 — CID 122302206

IUPAC3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2cnc(Oc3ccccc3)nc2)c1
InChIInChI=1S/C18H15N3O3/c1-23-16-9-5-6-13(10-16)17(22)21-14-11-19-18(20-12-14)24-15-7-3-2-4-8-15/h2-12H,1H3,(H,21,22)
InChIKeyFWCQTGXDHMHUMA-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.53
Rot. Bonds5

About 3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide

3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide (PubChem CID 122302206) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
PubChem CID122302206
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2cnc(Oc3ccccc3)nc2)c1
InChIInChI=1S/C18H15N3O3/c1-23-16-9-5-6-13(10-16)17(22)21-14-11-19-18(20-12-14)24-15-7-3-2-4-8-15/h2-12H,1H3,(H,21,22)
InChIKeyFWCQTGXDHMHUMA-UHFFFAOYSA-N
XLogP3.53
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302212
N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide
CID 122302221
4-(dimethylamino)-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302379
4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302430
N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116889
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide
CID 103816421
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302256
3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 71790006

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide?
The IUPAC name of 3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide (CID 122302206) is 3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide is COc1cccc(C(=O)Nc2cnc(Oc3ccccc3)nc2)c1.
What is the InChIKey of 3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide?
The InChIKey is FWCQTGXDHMHUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-23-16-9-5-6-13(10-16)17(22)21-14-11-19-18(20-12-14)24-15-7-3-2-4-8-15/h2-12H,1H3,(H,21,22).
What are the key properties of 3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide?
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide has a molecular weight of 321.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide is sourced from PubChem (CID 122302206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).