5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide

C18H16BrCl2NO3 — CID 162457633

IUPAC5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide
SMILESCOc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1C(=O)NC1CCC1
InChIInChI=1S/C18H16BrCl2NO3/c1-24-16-6-5-12(9-13(16)18(23)22-11-3-2-4-11)25-17-14(20)7-10(19)8-15(17)21/h5-9,11H,2-4H2,1H3,(H,22,23)
InChIKeyYLHAOJXYDHDWAA-UHFFFAOYSA-N
MW445.14 g/mol
LogP5.84
Rot. Bonds5

About 5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide

5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide (PubChem CID 162457633) has the molecular formula C18H16BrCl2NO3 and a molecular weight of 445.14 g/mol. Its IUPAC name is 5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide.

Molecular Properties

Compound Name5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide
PubChem CID162457633
Molecular FormulaC18H16BrCl2NO3
Molecular Weight445.14 g/mol
Exact Mass442.97
IUPAC Name5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide
SMILESCOc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1C(=O)NC1CCC1
InChIInChI=1S/C18H16BrCl2NO3/c1-24-16-6-5-12(9-13(16)18(23)22-11-3-2-4-11)25-17-14(20)7-10(19)8-15(17)21/h5-9,11H,2-4H2,1H3,(H,22,23)
InChIKeyYLHAOJXYDHDWAA-UHFFFAOYSA-N
XLogP5.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.14
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide
CID 166666185
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
N-cyclobutyl-5-[2,6-dichloro-4-(methoxymethyl)phenoxy]-2-(methoxymethyl)benzamide
CID 91170703
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
CID 115277460
5-bromo-1,3-dichloro-2-[3-[[1-(cyclopropylcarbamoyl)cyclopropyl]-sulfinoamino]-4-methoxyphenoxy]benzene
CID 166666238
5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid
CID 25133992
N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide
CID 106444066
5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid
CID 131994752
5-acetamido-N-cycloheptyl-2-methoxybenzamide
CID 110764502
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590964
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide?
The IUPAC name of 5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide (CID 162457633) is 5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide.
What is the SMILES notation for 5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide?
The canonical SMILES for 5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide is COc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1C(=O)NC1CCC1.
What is the InChIKey of 5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide?
The InChIKey is YLHAOJXYDHDWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrCl2NO3/c1-24-16-6-5-12(9-13(16)18(23)22-11-3-2-4-11)25-17-14(20)7-10(19)8-15(17)21/h5-9,11H,2-4H2,1H3,(H,22,23).
What are the key properties of 5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide?
5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide has a molecular weight of 445.14 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide is sourced from PubChem (CID 162457633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).