N-[(3-ethoxyphenyl)methyl]-4-pyridin-4-ylbenzamide

C21H20N2O2 — CID 155523817

IUPACN-[(3-ethoxyphenyl)methyl]-4-pyridin-4-ylbenzamide
SMILESCCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C21H20N2O2/c1-2-25-20-5-3-4-16(14-20)15-23-21(24)19-8-6-17(7-9-19)18-10-12-22-13-11-18/h3-14H,2,15H2,1H3,(H,23,24)
InChIKeyGMIZJSJFNDLUOV-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.08
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-4-pyridin-4-ylbenzamide

N-[(3-ethoxyphenyl)methyl]-4-pyridin-4-ylbenzamide (PubChem CID 155523817) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-4-pyridin-4-ylbenzamide
PubChem CID155523817
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[(3-ethoxyphenyl)methyl]-4-pyridin-4-ylbenzamide
SMILESCCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C21H20N2O2/c1-2-25-20-5-3-4-16(14-20)15-23-21(24)19-8-6-17(7-9-19)18-10-12-22-13-11-18/h3-14H,2,15H2,1H3,(H,23,24)
InChIKeyGMIZJSJFNDLUOV-UHFFFAOYSA-N
XLogP4.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-4-pyridin-4-ylbenzamide (CID 155523817) is N-[(3-ethoxyphenyl)methyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-4-pyridin-4-ylbenzamide is CCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-4-pyridin-4-ylbenzamide?
The InChIKey is GMIZJSJFNDLUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-2-25-20-5-3-4-16(14-20)15-23-21(24)19-8-6-17(7-9-19)18-10-12-22-13-11-18/h3-14H,2,15H2,1H3,(H,23,24).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-4-pyridin-4-ylbenzamide?
N-[(3-ethoxyphenyl)methyl]-4-pyridin-4-ylbenzamide has a molecular weight of 332.40 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 155523817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).