2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide

C20H18N2O2 — CID 118911654

IUPAC2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(COc2ccccc2C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C20H18N2O2/c1-15-8-10-16(11-9-15)14-24-19-7-3-2-6-18(19)20(23)22-17-5-4-12-21-13-17/h2-13H,14H2,1H3,(H,22,23)
InChIKeyNYEQTILMTGQSIE-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.22
Rot. Bonds5

About 2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide

2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide (PubChem CID 118911654) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
PubChem CID118911654
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(COc2ccccc2C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C20H18N2O2/c1-15-8-10-16(11-9-15)14-24-19-7-3-2-6-18(19)20(23)22-17-5-4-12-21-13-17/h2-13H,14H2,1H3,(H,22,23)
InChIKeyNYEQTILMTGQSIE-UHFFFAOYSA-N
XLogP4.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911656
2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911652
2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911692
2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
CID 118911752
N-(6-methoxy-3-pyridinyl)-2-phenylmethoxybenzamide
CID 2344191
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
2-[(4-methylphenyl)methoxy]benzoyl chloride
CID 46779704
N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide
CID 167930528
2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 27554596

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide (CID 118911654) is 2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide is Cc1ccc(COc2ccccc2C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The InChIKey is NYEQTILMTGQSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-15-8-10-16(11-9-15)14-24-19-7-3-2-6-18(19)20(23)22-17-5-4-12-21-13-17/h2-13H,14H2,1H3,(H,22,23).
What are the key properties of 2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide has a molecular weight of 318.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 118911654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).