N-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide

C21H23Cl2NO4 — CID 91170703

IUPACN-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide
SMILESCOCc1cc(Cl)c(Oc2ccc(COC)c(C(=O)NC3CCC3)c2)c(Cl)c1
InChIInChI=1S/C21H23Cl2NO4/c1-26-11-13-8-18(22)20(19(23)9-13)28-16-7-6-14(12-27-2)17(10-16)21(25)24-15-4-3-5-15/h6-10,15H,3-5,11-12H2,1-2H3,(H,24,25)
InChIKeyFEYDQBKDFMAUJY-UHFFFAOYSA-N
MW424.32 g/mol
LogP5.36
Rot. Bonds8

About N-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide

N-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide (PubChem CID 91170703) has the molecular formula C21H23Cl2NO4 and a molecular weight of 424.32 g/mol. Its IUPAC name is N-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide
PubChem CID91170703
Molecular FormulaC21H23Cl2NO4
Molecular Weight424.32 g/mol
Exact Mass423.10
IUPAC NameN-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide
SMILESCOCc1cc(Cl)c(Oc2ccc(COC)c(C(=O)NC3CCC3)c2)c(Cl)c1
InChIInChI=1S/C21H23Cl2NO4/c1-26-11-13-8-18(22)20(19(23)9-13)28-16-7-6-14(12-27-2)17(10-16)21(25)24-15-4-3-5-15/h6-10,15H,3-5,11-12H2,1-2H3,(H,24,25)
InChIKeyFEYDQBKDFMAUJY-UHFFFAOYSA-N
XLogP5.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.32
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide
CID 162457633
5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide
CID 166666185
2-chloro-N-cyclohexyl-5-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]benzamide
CID 17188698
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54833298
2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 108554575
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
2-chloro-N-cyclopropyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 55805524
2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110769934
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-cyclopentylbenzamide
CID 669043
N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415446

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide?
The IUPAC name of N-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide (CID 91170703) is N-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide?
The canonical SMILES for N-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide is COCc1cc(Cl)c(Oc2ccc(COC)c(C(=O)NC3CCC3)c2)c(Cl)c1.
What is the InChIKey of N-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide?
The InChIKey is FEYDQBKDFMAUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2NO4/c1-26-11-13-8-18(22)20(19(23)9-13)28-16-7-6-14(12-27-2)17(10-16)21(25)24-15-4-3-5-15/h6-10,15H,3-5,11-12H2,1-2H3,(H,24,25).
What are the key properties of N-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide?
N-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide has a molecular weight of 424.32 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide is sourced from PubChem (CID 91170703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).