N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide

C19H17N3O2 — CID 70703950

IUPACN-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide
SMILESCC(NC(=O)c1cccc(Oc2ncccn2)c1)c1ccccc1
InChIInChI=1S/C19H17N3O2/c1-14(15-7-3-2-4-8-15)22-18(23)16-9-5-10-17(13-16)24-19-20-11-6-12-21-19/h2-14H,1H3,(H,22,23)
InChIKeyZRFJMEQVGFWBOB-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.76
Rot. Bonds5

About N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide

N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide (PubChem CID 70703950) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide
PubChem CID70703950
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide
SMILESCC(NC(=O)c1cccc(Oc2ncccn2)c1)c1ccccc1
InChIInChI=1S/C19H17N3O2/c1-14(15-7-3-2-4-8-15)22-18(23)16-9-5-10-17(13-16)24-19-20-11-6-12-21-19/h2-14H,1H3,(H,22,23)
InChIKeyZRFJMEQVGFWBOB-UHFFFAOYSA-N
XLogP3.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide
CID 167614869
3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide
CID 10958899
3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
CID 122195499
N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide
CID 18096179
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40637184
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide
CID 69276532
3-phenoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582876
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide?
The IUPAC name of N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide (CID 70703950) is N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide.
What is the SMILES notation for N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide?
The canonical SMILES for N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide is CC(NC(=O)c1cccc(Oc2ncccn2)c1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide?
The InChIKey is ZRFJMEQVGFWBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-14(15-7-3-2-4-8-15)22-18(23)16-9-5-10-17(13-16)24-19-20-11-6-12-21-19/h2-14H,1H3,(H,22,23).
What are the key properties of N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide?
N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide has a molecular weight of 319.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide is sourced from PubChem (CID 70703950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).