N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide

C19H22BrNO2 — CID 100801731

IUPACN-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C19H22BrNO2/c1-5-13-10-16(20)11-14(6-2)18(13)21-19(22)15-7-8-17(23-4)12(3)9-15/h7-11H,5-6H2,1-4H3,(H,21,22)
InChIKeyLQQGDIPYINILCX-UHFFFAOYSA-N
MW376.29 g/mol
LogP5.14
Rot. Bonds5

About N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide

N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide (PubChem CID 100801731) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide
PubChem CID100801731
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC NameN-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C19H22BrNO2/c1-5-13-10-16(20)11-14(6-2)18(13)21-19(22)15-7-8-17(23-4)12(3)9-15/h7-11H,5-6H2,1-4H3,(H,21,22)
InChIKeyLQQGDIPYINILCX-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide
CID 100801729
N-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 100795411
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737466
4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide
CID 104782360
3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 960097
ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
CID 54213440
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide
CID 81295554
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
(3-bromo-5-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 107949805
N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide
CID 103956619

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide?
The IUPAC name of N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide (CID 100801731) is N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide?
The canonical SMILES for N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide is CCc1cc(Br)cc(CC)c1NC(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide?
The InChIKey is LQQGDIPYINILCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-5-13-10-16(20)11-14(6-2)18(13)21-19(22)15-7-8-17(23-4)12(3)9-15/h7-11H,5-6H2,1-4H3,(H,21,22).
What are the key properties of N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide?
N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide has a molecular weight of 376.29 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide is sourced from PubChem (CID 100801731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).