5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide

C19H22BrNO2 — CID 17350009

IUPAC5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C19H22BrNO2/c1-4-5-11-23-18-10-9-15(20)12-16(18)19(22)21-17-8-6-7-13(2)14(17)3/h6-10,12H,4-5,11H2,1-3H3,(H,21,22)
InChIKeyYFVFSTGGMZOBHW-UHFFFAOYSA-N
MW376.29 g/mol
LogP5.50
Rot. Bonds6

About 5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide

5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide (PubChem CID 17350009) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide
PubChem CID17350009
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C19H22BrNO2/c1-4-5-11-23-18-10-9-15(20)12-16(18)19(22)21-17-8-6-7-13(2)14(17)3/h6-10,12H,4-5,11H2,1-3H3,(H,21,22)
InChIKeyYFVFSTGGMZOBHW-UHFFFAOYSA-N
XLogP5.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide
CID 17351460
5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide
CID 46760619
5-bromo-2-(2-methoxyethoxy)-N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 46760627
5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide
CID 17350057
5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131495
N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide
CID 17189847
methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate
CID 17341933
5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide
CID 17350012
5-bromo-2-butoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17350044
5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 17343483
4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 78987526
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-butoxy-N-(2,3-dimethylphenyl)benzamide?
The IUPAC name of 5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide (CID 17350009) is 5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide?
The canonical SMILES for 5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide is CCCCOc1ccc(Br)cc1C(=O)Nc1cccc(C)c1C.
What is the InChIKey of 5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide?
The InChIKey is YFVFSTGGMZOBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-4-5-11-23-18-10-9-15(20)12-16(18)19(22)21-17-8-6-7-13(2)14(17)3/h6-10,12H,4-5,11H2,1-3H3,(H,21,22).
What are the key properties of 5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide?
5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide has a molecular weight of 376.29 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide is sourced from PubChem (CID 17350009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).