N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide

C21H18N2O4 — CID 167964840

IUPACN-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide
SMILESCOc1ccccc1C(=O)CNC(=O)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C21H18N2O4/c1-26-20-8-3-2-7-18(20)19(24)14-23-21(25)15-5-4-6-17(13-15)27-16-9-11-22-12-10-16/h2-13H,14H2,1H3,(H,23,25)
InChIKeyRHFDJRQNWIXIJX-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.50
Rot. Bonds7

About N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide

N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide (PubChem CID 167964840) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide
PubChem CID167964840
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide
SMILESCOc1ccccc1C(=O)CNC(=O)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C21H18N2O4/c1-26-20-8-3-2-7-18(20)19(24)14-23-21(25)15-5-4-6-17(13-15)27-16-9-11-22-12-10-16/h2-13H,14H2,1H3,(H,23,25)
InChIKeyRHFDJRQNWIXIJX-UHFFFAOYSA-N
XLogP3.50
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide
CID 11212599
N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 119429876
N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide
CID 119640034
N-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide
CID 86942317
[(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8781553
N-[2-(2-methoxyphenyl)-2-oxoethyl]acetamide
CID 12945637
N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide
CID 111433205
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide
CID 112993143
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 120887333
3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993687
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-pyridin-4-yloxybenzamide
CID 86954798

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide (CID 167964840) is N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide is COc1ccccc1C(=O)CNC(=O)c1cccc(Oc2ccncc2)c1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide?
The InChIKey is RHFDJRQNWIXIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-26-20-8-3-2-7-18(20)19(24)14-23-21(25)15-5-4-6-17(13-15)27-16-9-11-22-12-10-16/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide?
N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide has a molecular weight of 362.39 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide is sourced from PubChem (CID 167964840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).