4-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide

C19H15ClN2O2 — CID 118725450

IUPAC4-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C19H15ClN2O2/c20-17-3-1-2-4-18(17)24-16-7-5-15(6-8-16)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
InChIKeySPXAKPOXBCYGEN-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.46
Rot. Bonds5

About 4-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide

4-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 118725450) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID118725450
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name4-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C19H15ClN2O2/c20-17-3-1-2-4-18(17)24-16-7-5-15(6-8-16)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
InChIKeySPXAKPOXBCYGEN-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-((Phenethylamino)methyl)phenoxy)nicotinamide
CID 44434058
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
4-chloro-3-[2-(4-chlorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052361
4-chloro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052493
6-(4-((Benzylamino)methyl)phenoxy)nicotinamide
CID 44434949
3-chloro-4-[4-[[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
CID 56851582
LY-2795050
CID 56851583
N-(5-chloropyridin-2-yl)-4-phenoxybenzamide
CID 830775
3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide
CID 834663
4-phenoxy-N-(pyridin-4-ylmethyl)benzamide
CID 2568387
N-(3-{[2-(2-chlorophenoxy)acetyl]amino}propyl)nicotinamide
CID 2992561
4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzenecarboxamide
CID 4358655

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide (CID 118725450) is 4-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is SPXAKPOXBCYGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-17-3-1-2-4-18(17)24-16-7-5-15(6-8-16)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23).
What are the key properties of 4-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide?
4-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 338.79 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 118725450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).