2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide

C14H19BrClNO2 — CID 104625413

IUPAC2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide
SMILESCOCCC(C)(C)CNC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H19BrClNO2/c1-14(2,6-7-19-3)9-17-13(18)11-8-10(16)4-5-12(11)15/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyWCYMGIOLXLUEFD-UHFFFAOYSA-N
MW348.67 g/mol
LogP3.89
Rot. Bonds6

About 2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide

2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide (PubChem CID 104625413) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide
PubChem CID104625413
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Name2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide
SMILESCOCCC(C)(C)CNC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H19BrClNO2/c1-14(2,6-7-19-3)9-17-13(18)11-8-10(16)4-5-12(11)15/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyWCYMGIOLXLUEFD-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899354
2-bromo-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825239
2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide
CID 106254174
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide
CID 113364210
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748
2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 104920342
5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide
CID 106144546
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763
5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide
CID 106143106
2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 107994084
2-bromo-5-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 113258866

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide?
The IUPAC name of 2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide (CID 104625413) is 2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide is COCCC(C)(C)CNC(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide?
The InChIKey is WCYMGIOLXLUEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c1-14(2,6-7-19-3)9-17-13(18)11-8-10(16)4-5-12(11)15/h4-5,8H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide?
2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide has a molecular weight of 348.67 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide is sourced from PubChem (CID 104625413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).