4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide

C21H19ClN2O3 — CID 55745020

IUPAC4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(Cl)cc2)ccc1OCc1ccncc1
InChIInChI=1S/C21H19ClN2O3/c1-26-20-12-16(13-24-21(25)17-3-5-18(22)6-4-17)2-7-19(20)27-14-15-8-10-23-11-9-15/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyLSKMZCRFVAJRHC-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.25
Rot. Bonds7

About 4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide

4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 55745020) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
PubChem CID55745020
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(Cl)cc2)ccc1OCc1ccncc1
InChIInChI=1S/C21H19ClN2O3/c1-26-20-12-16(13-24-21(25)17-3-5-18(22)6-4-17)2-7-19(20)27-14-15-8-10-23-11-9-15/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyLSKMZCRFVAJRHC-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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Related Compounds

2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide
CID 47042624
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 47042626
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-4-(methoxysulfamoyl)benzamide
CID 55843428
3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55912136
4-[(4-chlorophenyl)methoxy]-N-(furan-3-ylmethyl)-3-methoxybenzamide
CID 55702606
4-butoxy-N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55843425
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
CID 31816152
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide (CID 55745020) is 4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide is COc1cc(CNC(=O)c2ccc(Cl)cc2)ccc1OCc1ccncc1.
What is the InChIKey of 4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is LSKMZCRFVAJRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-26-20-12-16(13-24-21(25)17-3-5-18(22)6-4-17)2-7-19(20)27-14-15-8-10-23-11-9-15/h2-12H,13-14H2,1H3,(H,24,25).
What are the key properties of 4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide?
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]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-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55745020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).