5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide

C19H22BrNO2 — CID 17351395

IUPAC5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H22BrNO2/c1-5-8-23-17-7-6-15(20)11-16(17)19(22)21-18-13(3)9-12(2)10-14(18)4/h6-7,9-11H,5,8H2,1-4H3,(H,21,22)
InChIKeyJKQMTUONPDKTKW-UHFFFAOYSA-N
MW376.29 g/mol
LogP5.42
Rot. Bonds5

About 5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide

5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 17351395) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID17351395
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H22BrNO2/c1-5-8-23-17-7-6-15(20)11-16(17)19(22)21-18-13(3)9-12(2)10-14(18)4/h6-7,9-11H,5,8H2,1-4H3,(H,21,22)
InChIKeyJKQMTUONPDKTKW-UHFFFAOYSA-N
XLogP5.42
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 ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide
CID 17351460
5-bromo-N-(4-chlorophenyl)-2-propoxybenzamide
CID 17351377
5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide
CID 17351741
5-bromo-N-(4-iodophenyl)-2-propoxybenzamide
CID 17351391
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 26164769
4-[2-(5-bromo-2-propoxybenzoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 17351757
5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide
CID 46760619
5-bromo-N-[(4-methylphenyl)carbamothioyl]-2-propoxybenzamide
CID 17351997
5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide
CID 54788444
5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide
CID 17351367
5-bromo-2-butoxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide
CID 17350359
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide (CID 17351395) is 5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide is CCCOc1ccc(Br)cc1C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is JKQMTUONPDKTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-5-8-23-17-7-6-15(20)11-16(17)19(22)21-18-13(3)9-12(2)10-14(18)4/h6-7,9-11H,5,8H2,1-4H3,(H,21,22).
What are the key properties of 5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide?
5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 376.29 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 17351395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).