2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide

C20H17ClN2O2 — CID 27554596

IUPAC2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O2/c21-17-9-7-15(8-10-17)14-25-19-6-2-1-5-18(19)20(24)23-13-16-4-3-11-22-12-16/h1-12H,13-14H2,(H,23,24)
InChIKeyVWNYZQXGGBMRBD-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.24
Rot. Bonds6

About 2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide

2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 27554596) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID27554596
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O2/c21-17-9-7-15(8-10-17)14-25-19-6-2-1-5-18(19)20(24)23-13-16-4-3-11-22-12-16/h1-12H,13-14H2,(H,23,24)
InChIKeyVWNYZQXGGBMRBD-UHFFFAOYSA-N
XLogP4.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
2-[(4-chlorophenyl)methoxy]-N-(2-pyridin-3-ylethyl)benzamide
CID 39559750
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 16573030
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
N-[(3-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methoxy]benzamide
CID 32636544
4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2193327
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide (CID 27554596) is 2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is VWNYZQXGGBMRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-17-9-7-15(8-10-17)14-25-19-6-2-1-5-18(19)20(24)23-13-16-4-3-11-22-12-16/h1-12H,13-14H2,(H,23,24).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide?
2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 352.82 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 27554596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).