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

C19H15ClN2O2 — CID 118725448

IUPAC4-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
InChIKeyBVGRLIKCJLZVRK-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.46
Rot. Bonds5

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

4-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 118725448) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID118725448
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name4-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
InChIKeyBVGRLIKCJLZVRK-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

2-(4-Chlorophenoxy)nicotinamide
CID 2774902
Hsl-IN-1
CID 132569642
6-(4-((Phenethylamino)methyl)phenoxy)nicotinamide
CID 44434058
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
6-(4-(2-(Benzylamino)ethyl)phenoxy)nicotinamide
CID 44434057
6-(4-(3-(Benzylamino)propyl)phenoxy)nicotinamide
CID 44434946
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
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(4-fluoro-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257041
N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 2303641
N-(5-chloropyridin-2-yl)-4-phenoxybenzamide
CID 830775

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide (CID 118725448) is 4-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is BVGRLIKCJLZVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23).
What are the key properties of 4-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide?
4-(4-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-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 118725448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).