4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide

C26H22N2O2 — CID 121142482

IUPAC4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
SMILESCc1ccc(-c2ccc(C(=O)NCc3cccc(Oc4ccccn4)c3)cc2)cc1
InChIInChI=1S/C26H22N2O2/c1-19-8-10-21(11-9-19)22-12-14-23(15-13-22)26(29)28-18-20-5-4-6-24(17-20)30-25-7-2-3-16-27-25/h2-17H,18H2,1H3,(H,28,29)
InChIKeyDQULUTXXYRPKIC-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.78
Rot. Bonds6

About 4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide

4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide (PubChem CID 121142482) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
PubChem CID121142482
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
SMILESCc1ccc(-c2ccc(C(=O)NCc3cccc(Oc4ccccn4)c3)cc2)cc1
InChIInChI=1S/C26H22N2O2/c1-19-8-10-21(11-9-19)22-12-14-23(15-13-22)26(29)28-18-20-5-4-6-24(17-20)30-25-7-2-3-16-27-25/h2-17H,18H2,1H3,(H,28,29)
InChIKeyDQULUTXXYRPKIC-UHFFFAOYSA-N
XLogP5.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596113
3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596216
2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide
CID 90596035
2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide;hydrochloride
CID 119099681
N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 90596022
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide
CID 90596276
(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
CID 90596212
1-methyl-6-oxo-N-[(3-pyridin-2-yloxyphenyl)methyl]pyridazine-3-carboxamide
CID 90596207
3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 90596115
N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021388

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide (CID 121142482) is 4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide is Cc1ccc(-c2ccc(C(=O)NCc3cccc(Oc4ccccn4)c3)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide?
The InChIKey is DQULUTXXYRPKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-19-8-10-21(11-9-19)22-12-14-23(15-13-22)26(29)28-18-20-5-4-6-24(17-20)30-25-7-2-3-16-27-25/h2-17H,18H2,1H3,(H,28,29).
What are the key properties of 4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide?
4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide has a molecular weight of 394.47 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 121142482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).