3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide

C18H20BrNO3 — CID 17151006

IUPAC3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1Br
InChIInChI=1S/C18H20BrNO3/c1-4-22-16-10-9-13(11-14(16)19)18(21)20-15-7-5-6-8-17(15)23-12(2)3/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyJVIJFWFQPDENOM-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.89
Rot. Bonds6

About 3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide

3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide (PubChem CID 17151006) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
PubChem CID17151006
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1Br
InChIInChI=1S/C18H20BrNO3/c1-4-22-16-10-9-13(11-14(16)19)18(21)20-15-7-5-6-8-17(15)23-12(2)3/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyJVIJFWFQPDENOM-UHFFFAOYSA-N
XLogP4.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide
CID 17355255
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992
4-ethoxy-3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 86938124
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid
CID 119180523
3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130977
3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide
CID 17151300
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide
CID 1256588
3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
CID 17073820
3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide
CID 15998680
3-bromo-4-ethoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17074107

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide (CID 17151006) is 3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide is CCOc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1Br.
What is the InChIKey of 3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide?
The InChIKey is JVIJFWFQPDENOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-4-22-16-10-9-13(11-14(16)19)18(21)20-15-7-5-6-8-17(15)23-12(2)3/h5-12H,4H2,1-3H3,(H,20,21).
What are the key properties of 3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide?
3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide has a molecular weight of 378.27 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 17151006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).