N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide

C19H22BrNO2 — CID 53267898

IUPACN-(2-bromo-4-butylphenyl)-2-ethoxybenzamide
SMILESCCCCc1ccc(NC(=O)c2ccccc2OCC)c(Br)c1
InChIInChI=1S/C19H22BrNO2/c1-3-5-8-14-11-12-17(16(20)13-14)21-19(22)15-9-6-7-10-18(15)23-4-2/h6-7,9-13H,3-5,8H2,1-2H3,(H,21,22)
InChIKeyIYOYSUKGAQCEGV-UHFFFAOYSA-N
MW376.29 g/mol
LogP5.44
Rot. Bonds7

About N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide

N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide (PubChem CID 53267898) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-butylphenyl)-2-ethoxybenzamide
PubChem CID53267898
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC NameN-(2-bromo-4-butylphenyl)-2-ethoxybenzamide
SMILESCCCCc1ccc(NC(=O)c2ccccc2OCC)c(Br)c1
InChIInChI=1S/C19H22BrNO2/c1-3-5-8-14-11-12-17(16(20)13-14)21-19(22)15-9-6-7-10-18(15)23-4-2/h6-7,9-13H,3-5,8H2,1-2H3,(H,21,22)
InChIKeyIYOYSUKGAQCEGV-UHFFFAOYSA-N
XLogP5.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dibromophenyl)-2-ethoxybenzamide
CID 3649234
N-(2-bromo-4-butylphenyl)acetamide
CID 23274178
5-[[3-carboxy-4-[(2-ethoxybenzoyl)amino]phenyl]methyl]-2-[(2-ethoxybenzoyl)amino]benzoic acid
CID 17296846
N-(2-bromo-4-methylphenyl)-2-(2-ethoxyethoxy)benzamide
CID 54784480
2-bromo-N-(2-bromo-4-ethylphenyl)benzamide
CID 53268216
2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4556792
N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide
CID 103819498
2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234633
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131458

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide?
The IUPAC name of N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide (CID 53267898) is N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide?
The canonical SMILES for N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide is CCCCc1ccc(NC(=O)c2ccccc2OCC)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide?
The InChIKey is IYOYSUKGAQCEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-3-5-8-14-11-12-17(16(20)13-14)21-19(22)15-9-6-7-10-18(15)23-4-2/h6-7,9-13H,3-5,8H2,1-2H3,(H,21,22).
What are the key properties of N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide?
N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide has a molecular weight of 376.29 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide is sourced from PubChem (CID 53267898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).