4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide

C16H24BrNO2 — CID 102906384

IUPAC4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C16H24BrNO2/c1-10(2)14(11(3)4)9-18-16(19)13-7-6-12(17)8-15(13)20-5/h6-8,10-11,14H,9H2,1-5H3,(H,18,19)
InChIKeyKESZBRYSKPQWMN-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.12
Rot. Bonds6

About 4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide

4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide (PubChem CID 102906384) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
PubChem CID102906384
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C16H24BrNO2/c1-10(2)14(11(3)4)9-18-16(19)13-7-6-12(17)8-15(13)20-5/h6-8,10-11,14H,9H2,1-5H3,(H,18,19)
InChIKeyKESZBRYSKPQWMN-UHFFFAOYSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromo-2-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 113295975
4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide
CID 115648993
4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide
CID 107157714
4-bromo-2-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906485
4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914681
4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103726237
4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide
CID 114100346
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide
CID 107300567
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 78987486

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide (CID 102906384) is 4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide is COc1cc(Br)ccc1C(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of 4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The InChIKey is KESZBRYSKPQWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-10(2)14(11(3)4)9-18-16(19)13-7-6-12(17)8-15(13)20-5/h6-8,10-11,14H,9H2,1-5H3,(H,18,19).
What are the key properties of 4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide has a molecular weight of 342.28 g/mol, XLogP of 4.12, 6 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-(3-methyl-2-propan-2-ylbutyl)benzamide is sourced from PubChem (CID 102906384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).