3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide

C20H16Cl2N2O3 — CID 46427791

IUPAC3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1OCc1ccncc1
InChIInChI=1S/C20H16Cl2N2O3/c1-26-18-3-2-17(11-19(18)27-12-13-4-6-23-7-5-13)24-20(25)14-8-15(21)10-16(22)9-14/h2-11H,12H2,1H3,(H,24,25)
InChIKeyFRRKGLBXGRLCDC-UHFFFAOYSA-N
MW403.27 g/mol
LogP5.23
Rot. Bonds6

About 3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide

3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide (PubChem CID 46427791) has the molecular formula C20H16Cl2N2O3 and a molecular weight of 403.27 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
PubChem CID46427791
Molecular FormulaC20H16Cl2N2O3
Molecular Weight403.27 g/mol
Exact Mass402.05
IUPAC Name3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1OCc1ccncc1
InChIInChI=1S/C20H16Cl2N2O3/c1-26-18-3-2-17(11-19(18)27-12-13-4-6-23-7-5-13)24-20(25)14-8-15(21)10-16(22)9-14/h2-11H,12H2,1H3,(H,24,25)
InChIKeyFRRKGLBXGRLCDC-UHFFFAOYSA-N
XLogP5.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.27
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-4-methoxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46448262
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
2-(4-chlorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 38628569
3-(dimethylamino)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427160
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 33128215
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide
CID 55778341
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 33126560
2-methoxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-nitrobenzamide
CID 46426545
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 43068293
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 38628768
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide
CID 119848510
2,6-dichloro-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 86930838

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide (CID 46427791) is 3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide is COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1OCc1ccncc1.
What is the InChIKey of 3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide?
The InChIKey is FRRKGLBXGRLCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3/c1-26-18-3-2-17(11-19(18)27-12-13-4-6-23-7-5-13)24-20(25)14-8-15(21)10-16(22)9-14/h2-11H,12H2,1H3,(H,24,25).
What are the key properties of 3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide?
3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide has a molecular weight of 403.27 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 46427791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).