3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide

C19H22BrNO3 — CID 3960539

IUPAC3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCC
InChIInChI=1S/C19H22BrNO3/c1-4-13-7-9-15(10-8-13)21-19(22)14-11-16(20)18(24-6-3)17(12-14)23-5-2/h7-12H,4-6H2,1-3H3,(H,21,22)
InChIKeyAKAOQPBKOKKCBR-UHFFFAOYSA-N
MW392.29 g/mol
LogP5.06
Rot. Bonds7

About 3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide

3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide (PubChem CID 3960539) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide
PubChem CID3960539
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCC
InChIInChI=1S/C19H22BrNO3/c1-4-13-7-9-15(10-8-13)21-19(22)14-11-16(20)18(24-6-3)17(12-14)23-5-2/h7-12H,4-6H2,1-3H3,(H,21,22)
InChIKeyAKAOQPBKOKKCBR-UHFFFAOYSA-N
XLogP5.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
CID 5178991
[2-(4-ethylanilino)-2-oxoethyl] 3-bromo-5-ethoxy-4-methoxybenzoate
CID 18273018
1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869770
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)acetamide
CID 17201814
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
3,4,5-triethoxy-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17358334
methyl 4-[(3,5-dibromo-4-ethoxyphenyl)carbamoyl]benzoate
CID 67041561
3,4,5-triethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide
CID 7375733
3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55834113
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
N-[4-(dimethylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 7944350

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide?
The IUPAC name of 3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide (CID 3960539) is 3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide?
The canonical SMILES for 3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide is CCOc1cc(C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCC.
What is the InChIKey of 3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide?
The InChIKey is AKAOQPBKOKKCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-4-13-7-9-15(10-8-13)21-19(22)14-11-16(20)18(24-6-3)17(12-14)23-5-2/h7-12H,4-6H2,1-3H3,(H,21,22).
What are the key properties of 3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide?
3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide has a molecular weight of 392.29 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide is sourced from PubChem (CID 3960539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).