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

C21H19ClN2O3 — CID 1124525

IUPAC4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCc2cccnc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O3/c1-26-20-11-17(21(25)24-13-16-3-2-10-23-12-16)6-9-19(20)27-14-15-4-7-18(22)8-5-15/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyBAXSUYQQDWAPBS-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.25
Rot. Bonds7

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

4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 1124525) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID1124525
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCc2cccnc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O3/c1-26-20-11-17(21(25)24-13-16-3-2-10-23-12-16)6-9-19(20)27-14-15-4-7-18(22)8-5-15/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyBAXSUYQQDWAPBS-UHFFFAOYSA-N
XLogP4.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide (CID 1124525) is 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide is COc1cc(C(=O)NCc2cccnc2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is BAXSUYQQDWAPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-26-20-11-17(21(25)24-13-16-3-2-10-23-12-16)6-9-19(20)27-14-15-4-7-18(22)8-5-15/h2-12H,13-14H2,1H3,(H,24,25).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 382.85 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 1124525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).