4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide

C15H22BrNO2 — CID 114100346

IUPAC4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCC(C)(C)C(C)C
InChIInChI=1S/C15H22BrNO2/c1-10(2)15(3,4)9-17-14(18)12-7-6-11(16)8-13(12)19-5/h6-8,10H,9H2,1-5H3,(H,17,18)
InChIKeyWQWHUYQNWNUTJV-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.87
Rot. Bonds5

About 4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide

4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide (PubChem CID 114100346) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide
PubChem CID114100346
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCC(C)(C)C(C)C
InChIInChI=1S/C15H22BrNO2/c1-10(2)15(3,4)9-17-14(18)12-7-6-11(16)8-13(12)19-5/h6-8,10H,9H2,1-5H3,(H,17,18)
InChIKeyWQWHUYQNWNUTJV-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate
CID 122146105
4-bromo-2-methoxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79676470
4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906384
4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide
CID 107157714
4-bromo-N-(2,2-dimethylheptyl)-2-methoxybenzamide
CID 115369323
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369689
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103726237
4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide
CID 107300567
4-[(4-bromo-2-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 113295975
4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide
CID 115648993

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide (CID 114100346) is 4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide is COc1cc(Br)ccc1C(=O)NCC(C)(C)C(C)C.
What is the InChIKey of 4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide?
The InChIKey is WQWHUYQNWNUTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-10(2)15(3,4)9-17-14(18)12-7-6-11(16)8-13(12)19-5/h6-8,10H,9H2,1-5H3,(H,17,18).
What are the key properties of 4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide?
4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide has a molecular weight of 328.25 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide is sourced from PubChem (CID 114100346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).