3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide

C20H16Cl2N2O2 — CID 60534147

IUPAC3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl2N2O2/c21-18-9-6-15(11-19(18)22)20(25)24-12-14-4-7-17(8-5-14)26-13-16-3-1-2-10-23-16/h1-11H,12-13H2,(H,24,25)
InChIKeySPDFVSTWBHNSPZ-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.90
Rot. Bonds6

About 3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide

3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 60534147) has the molecular formula C20H16Cl2N2O2 and a molecular weight of 387.27 g/mol. Its IUPAC name is 3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
PubChem CID60534147
Molecular FormulaC20H16Cl2N2O2
Molecular Weight387.27 g/mol
Exact Mass386.06
IUPAC Name3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl2N2O2/c21-18-9-6-15(11-19(18)22)20(25)24-12-14-4-7-17(8-5-14)26-13-16-3-1-2-10-23-16/h1-11H,12-13H2,(H,24,25)
InChIKeySPDFVSTWBHNSPZ-UHFFFAOYSA-N
XLogP4.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(diethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55902520
5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534175
N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55957894
3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55902266
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 86862763
3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55901885
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709365
2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide
CID 10280432
5-[(4-fluorophenoxy)methyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 55902012

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide (CID 60534147) is 3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide is O=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is SPDFVSTWBHNSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2/c21-18-9-6-15(11-19(18)22)20(25)24-12-14-4-7-17(8-5-14)26-13-16-3-1-2-10-23-16/h1-11H,12-13H2,(H,24,25).
What are the key properties of 3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide has a molecular weight of 387.27 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 60534147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).