2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide

C15H22BrNO2 — CID 60745117

IUPAC2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCOc1ccc(Br)c(C(=O)N(C)C(C)CC(C)C)c1
InChIInChI=1S/C15H22BrNO2/c1-10(2)8-11(3)17(4)15(18)13-9-12(19-5)6-7-14(13)16/h6-7,9-11H,8H2,1-5H3
InChIKeyJGHXADUBSFEWLR-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.96
Rot. Bonds5

About 2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide

2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide (PubChem CID 60745117) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
PubChem CID60745117
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCOc1ccc(Br)c(C(=O)N(C)C(C)CC(C)C)c1
InChIInChI=1S/C15H22BrNO2/c1-10(2)8-11(3)17(4)15(18)13-9-12(19-5)6-7-14(13)16/h6-7,9-11H,8H2,1-5H3
InChIKeyJGHXADUBSFEWLR-UHFFFAOYSA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide
CID 60741091
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-one
CID 83988112
2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide
CID 18102328
2-bromo-N-(2-bromoethyl)-5-methoxy-N-propan-2-ylbenzamide
CID 80666522
ethyl 2-bromo-5-methoxybenzoate
CID 43389585
2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide
CID 81056379
2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide
CID 61026430
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide
CID 39952387
2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide
CID 55026519
1-(2-bromo-5-methoxyphenyl)-3-methylpentan-1-one
CID 105091755

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide (CID 60745117) is 2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide is COc1ccc(Br)c(C(=O)N(C)C(C)CC(C)C)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is JGHXADUBSFEWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-10(2)8-11(3)17(4)15(18)13-9-12(19-5)6-7-14(13)16/h6-7,9-11H,8H2,1-5H3.
What are the key properties of 2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide?
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 328.25 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 60745117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).