5-bromo-4-chloro-2-(methoxymethoxy)-N-(2,4,4-trimethylpentan-2-yl)benzamide

C17H25BrClNO3 — CID 139391047

IUPAC5-bromo-4-chloro-2-(methoxymethoxy)-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCOCOc1cc(Cl)c(Br)cc1C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H25BrClNO3/c1-16(2,3)9-17(4,5)20-15(21)11-7-12(18)13(19)8-14(11)23-10-22-6/h7-8H,9-10H2,1-6H3,(H,20,21)
InChIKeyGYYUUPFNTPQQOJ-UHFFFAOYSA-N
MW406.75 g/mol
LogP5.03
Rot. Bonds6

About 5-bromo-4-chloro-2-(methoxymethoxy)-N-(2,4,4-trimethylpentan-2-yl)benzamide

5-bromo-4-chloro-2-(methoxymethoxy)-N-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 139391047) has the molecular formula C17H25BrClNO3 and a molecular weight of 406.75 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(methoxymethoxy)-N-(2,4,4-trimethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(methoxymethoxy)-N-(2,4,4-trimethylpentan-2-yl)benzamide
PubChem CID139391047
Molecular FormulaC17H25BrClNO3
Molecular Weight406.75 g/mol
Exact Mass405.07
IUPAC Name5-bromo-4-chloro-2-(methoxymethoxy)-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCOCOc1cc(Cl)c(Br)cc1C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H25BrClNO3/c1-16(2,3)9-17(4,5)20-15(21)11-7-12(18)13(19)8-14(11)23-10-22-6/h7-8H,9-10H2,1-6H3,(H,20,21)
InChIKeyGYYUUPFNTPQQOJ-UHFFFAOYSA-N
XLogP5.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.75
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-chloro-4-methoxy-2-[2-(trimethyl-λ4-sulfanyl)ethoxy]-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 170224787
4-bromo-3-chloro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 81307457
5-bromo-3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide
CID 156624517
2-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 113255136
2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide
CID 114917844
4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 115369210
2-bromo-5-sulfanyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 107026909
methyl 5-chloro-2,4-bis(methoxymethoxy)benzoate
CID 57440512
2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 1241760
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227
2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 55041629
2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 54943331

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(methoxymethoxy)-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The IUPAC name of 5-bromo-4-chloro-2-(methoxymethoxy)-N-(2,4,4-trimethylpentan-2-yl)benzamide (CID 139391047) is 5-bromo-4-chloro-2-(methoxymethoxy)-N-(2,4,4-trimethylpentan-2-yl)benzamide.
What is the SMILES notation for 5-bromo-4-chloro-2-(methoxymethoxy)-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The canonical SMILES for 5-bromo-4-chloro-2-(methoxymethoxy)-N-(2,4,4-trimethylpentan-2-yl)benzamide is COCOc1cc(Cl)c(Br)cc1C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 5-bromo-4-chloro-2-(methoxymethoxy)-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The InChIKey is GYYUUPFNTPQQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrClNO3/c1-16(2,3)9-17(4,5)20-15(21)11-7-12(18)13(19)8-14(11)23-10-22-6/h7-8H,9-10H2,1-6H3,(H,20,21).
What are the key properties of 5-bromo-4-chloro-2-(methoxymethoxy)-N-(2,4,4-trimethylpentan-2-yl)benzamide?
5-bromo-4-chloro-2-(methoxymethoxy)-N-(2,4,4-trimethylpentan-2-yl)benzamide has a molecular weight of 406.75 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(methoxymethoxy)-N-(2,4,4-trimethylpentan-2-yl)benzamide is sourced from PubChem (CID 139391047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).