5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide

C23H23ClN2O4 — CID 55807881

IUPAC5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
SMILESCOc1cc(C(C)NC(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccncc1
InChIInChI=1S/C23H23ClN2O4/c1-15(26-23(27)19-13-18(24)5-7-20(19)28-2)17-4-6-21(22(12-17)29-3)30-14-16-8-10-25-11-9-16/h4-13,15H,14H2,1-3H3,(H,26,27)
InChIKeyAIXCTPXJGHTZBZ-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.82
Rot. Bonds8

About 5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide

5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide (PubChem CID 55807881) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
PubChem CID55807881
Molecular FormulaC23H23ClN2O4
Molecular Weight426.90 g/mol
Exact Mass426.13
IUPAC Name5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
SMILESCOc1cc(C(C)NC(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccncc1
InChIInChI=1S/C23H23ClN2O4/c1-15(26-23(27)19-13-18(24)5-7-20(19)28-2)17-4-6-21(22(12-17)29-3)30-14-16-8-10-25-11-9-16/h4-13,15H,14H2,1-3H3,(H,26,27)
InChIKeyAIXCTPXJGHTZBZ-UHFFFAOYSA-N
XLogP4.82
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-iodo-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
CID 55808073
4-(4-chlorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]butanamide
CID 55807066
4-bromo-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 55932540
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
(Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide
CID 51123778
2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
CID 55806772
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55806874
2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 78890426
1-amino-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852194
2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
CID 55806619
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119852198
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55807945

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide (CID 55807881) is 5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide is COc1cc(C(C)NC(=O)c2cc(Cl)ccc2OC)ccc1OCc1ccncc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide?
The InChIKey is AIXCTPXJGHTZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4/c1-15(26-23(27)19-13-18(24)5-7-20(19)28-2)17-4-6-21(22(12-17)29-3)30-14-16-8-10-25-11-9-16/h4-13,15H,14H2,1-3H3,(H,26,27).
What are the key properties of 5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide?
5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide has a molecular weight of 426.90 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 55807881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).