2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide

C25H26ClNO6 — CID 118460229

IUPAC2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide
SMILESCOc1ccc(COc2ccc(C(=O)N(C)OC)c(Cl)c2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26ClNO6/c1-27(31-4)25(28)21-13-14-22(32-15-17-5-9-19(29-2)10-6-17)24(23(21)26)33-16-18-7-11-20(30-3)12-8-18/h5-14H,15-16H2,1-4H3
InChIKeyLMICPVRJEFBBBE-UHFFFAOYSA-N
MW471.94 g/mol
LogP5.15
Rot. Bonds10

About 2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide

2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide (PubChem CID 118460229) has the molecular formula C25H26ClNO6 and a molecular weight of 471.94 g/mol. Its IUPAC name is 2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide
PubChem CID118460229
Molecular FormulaC25H26ClNO6
Molecular Weight471.94 g/mol
Exact Mass471.14
IUPAC Name2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide
SMILESCOc1ccc(COc2ccc(C(=O)N(C)OC)c(Cl)c2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26ClNO6/c1-27(31-4)25(28)21-13-14-22(32-15-17-5-9-19(29-2)10-6-17)24(23(21)26)33-16-18-7-11-20(30-3)12-8-18/h5-14H,15-16H2,1-4H3
InChIKeyLMICPVRJEFBBBE-UHFFFAOYSA-N
XLogP5.15
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.94
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]-N-methyl-N-[2-(4-methylphenyl)sulfonylsulfanylethyl]benzamide
CID 142554376
9-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2,8,9-trioxononanoic acid
CID 160853535
2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methylimino-N-propylacetamide
CID 157141760
tert-butyl N-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]carbamate
CID 139577017
N-[2-[[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]ethylcarbamoyl]sulfamoyl chloride
CID 139576821
1-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-3-(2H-tetrazol-5-yl)propan-1-one
CID 159938240
2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde
CID 88918697
(2S)-2-[[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]-4-hydroxybutanoic acid
CID 90395237
[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 163288665
tert-butyl N-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]-N-[methyl-[2-(4-methylphenyl)sulfonylsulfanylethyl]amino]carbamate
CID 142554320
tert-butyl N-[2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetyl]-N-propylcarbamate
CID 157141761
N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetamide
CID 90127260

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide?
The IUPAC name of 2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide (CID 118460229) is 2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide is COc1ccc(COc2ccc(C(=O)N(C)OC)c(Cl)c2OCc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide?
The InChIKey is LMICPVRJEFBBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClNO6/c1-27(31-4)25(28)21-13-14-22(32-15-17-5-9-19(29-2)10-6-17)24(23(21)26)33-16-18-7-11-20(30-3)12-8-18/h5-14H,15-16H2,1-4H3.
What are the key properties of 2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide?
2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide has a molecular weight of 471.94 g/mol, XLogP of 5.15, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide is sourced from PubChem (CID 118460229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).