5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide

C18H16BrCl2NO4 — CID 166666185

IUPAC5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide
SMILESCOc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1C(=O)NC1CCOC1
InChIInChI=1S/C18H16BrCl2NO4/c1-24-16-3-2-12(26-17-14(20)6-10(19)7-15(17)21)8-13(16)18(23)22-11-4-5-25-9-11/h2-3,6-8,11H,4-5,9H2,1H3,(H,22,23)
InChIKeyWZQSHRRHRUECNB-UHFFFAOYSA-N
MW461.14 g/mol
LogP5.08
Rot. Bonds5

About 5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide

5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide (PubChem CID 166666185) has the molecular formula C18H16BrCl2NO4 and a molecular weight of 461.14 g/mol. Its IUPAC name is 5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide
PubChem CID166666185
Molecular FormulaC18H16BrCl2NO4
Molecular Weight461.14 g/mol
Exact Mass458.96
IUPAC Name5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide
SMILESCOc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1C(=O)NC1CCOC1
InChIInChI=1S/C18H16BrCl2NO4/c1-24-16-3-2-12(26-17-14(20)6-10(19)7-15(17)21)8-13(16)18(23)22-11-4-5-25-9-11/h2-3,6-8,11H,4-5,9H2,1H3,(H,22,23)
InChIKeyWZQSHRRHRUECNB-UHFFFAOYSA-N
XLogP5.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.14
LogP ≤ 55.08
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
2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide
CID 80716754
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
CID 80713377
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid
CID 25133992
3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide
CID 107872966
5-bromo-1,3-dichloro-2-[3-[[1-(cyclopropylcarbamoyl)cyclopropyl]-sulfinoamino]-4-methoxyphenoxy]benzene
CID 166666238
N-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide
CID 91170703
5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
CID 115277460
N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256157

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide?
The IUPAC name of 5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide (CID 166666185) is 5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide is COc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1C(=O)NC1CCOC1.
What is the InChIKey of 5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide?
The InChIKey is WZQSHRRHRUECNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrCl2NO4/c1-24-16-3-2-12(26-17-14(20)6-10(19)7-15(17)21)8-13(16)18(23)22-11-4-5-25-9-11/h2-3,6-8,11H,4-5,9H2,1H3,(H,22,23).
What are the key properties of 5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide?
5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide has a molecular weight of 461.14 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 166666185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).