4-[(2-chlorophenoxy)methyl]-N-pyridin-4-ylbenzamide

C19H15ClN2O2 — CID 890653

IUPAC4-[(2-chlorophenoxy)methyl]-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C19H15ClN2O2/c20-17-3-1-2-4-18(17)24-13-14-5-7-15(8-6-14)19(23)22-16-9-11-21-12-10-16/h1-12H,13H2,(H,21,22,23)
InChIKeyVAHVWEIUWRWGMO-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.57
Rot. Bonds5

About 4-[(2-chlorophenoxy)methyl]-N-pyridin-4-ylbenzamide

4-[(2-chlorophenoxy)methyl]-N-pyridin-4-ylbenzamide (PubChem CID 890653) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-N-pyridin-4-ylbenzamide
PubChem CID890653
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name4-[(2-chlorophenoxy)methyl]-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C19H15ClN2O2/c20-17-3-1-2-4-18(17)24-13-14-5-7-15(8-6-14)19(23)22-16-9-11-21-12-10-16/h1-12H,13H2,(H,21,22,23)
InChIKeyVAHVWEIUWRWGMO-UHFFFAOYSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 9937410
3-Oxybenzamide 29
CID 22052347
4-chloro-3-[2-(4-chlorophenyl)ethoxy]-5-methoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052358
4-chloro-3-[2-(4-chlorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052361
3-[2-(2,4-dichlorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052368
3-[2-(4-chlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052371
4-chloro-3-[2-(5-chloropyridin-2-yl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052426
3-[2-(4-aminophenyl)ethoxy]-4-chloro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052453
4-chloro-3-[2-(2,4-dichlorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052482
4-chloro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052493
3-Oxybenzamide 36
CID 23396194
3-[2-(2,4-dichlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396199

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-pyridin-4-ylbenzamide (CID 890653) is 4-[(2-chlorophenoxy)methyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1ccc(COc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-N-pyridin-4-ylbenzamide?
The InChIKey is VAHVWEIUWRWGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-17-3-1-2-4-18(17)24-13-14-5-7-15(8-6-14)19(23)22-16-9-11-21-12-10-16/h1-12H,13H2,(H,21,22,23).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-N-pyridin-4-ylbenzamide?
4-[(2-chlorophenoxy)methyl]-N-pyridin-4-ylbenzamide has a molecular weight of 338.79 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 890653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).