3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide

C24H24BrNO4 — CID 17130977

IUPAC3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccccc2OCCOc2ccccc2)cc1Br
InChIInChI=1S/C24H24BrNO4/c1-17(2)30-22-13-12-18(16-20(22)25)24(27)26-21-10-6-7-11-23(21)29-15-14-28-19-8-4-3-5-9-19/h3-13,16-17H,14-15H2,1-2H3,(H,26,27)
InChIKeyTUZNJTNNKDOZEU-UHFFFAOYSA-N
MW470.36 g/mol
LogP5.95
Rot. Bonds9

About 3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide

3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide (PubChem CID 17130977) has the molecular formula C24H24BrNO4 and a molecular weight of 470.36 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
PubChem CID17130977
Molecular FormulaC24H24BrNO4
Molecular Weight470.36 g/mol
Exact Mass469.09
IUPAC Name3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccccc2OCCOc2ccccc2)cc1Br
InChIInChI=1S/C24H24BrNO4/c1-17(2)30-22-13-12-18(16-20(22)25)24(27)26-21-10-6-7-11-23(21)29-15-14-28-19-8-4-3-5-9-19/h3-13,16-17H,14-15H2,1-2H3,(H,26,27)
InChIKeyTUZNJTNNKDOZEU-UHFFFAOYSA-N
XLogP5.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.36
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130966
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
3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151006
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
2-phenoxyethyl 3-bromo-4-propan-2-yloxybenzoate
CID 23012974
3-bromo-4-(3-methylbutoxy)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131089
3-bromo-N-(3-butoxyphenyl)-4-propan-2-yloxybenzamide
CID 17095128
3-bromo-4-(3-methylbutoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131491
3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide
CID 17154780
3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123630
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide
CID 17134058

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide (CID 17130977) is 3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2ccccc2OCCOc2ccccc2)cc1Br.
What is the InChIKey of 3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide?
The InChIKey is TUZNJTNNKDOZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO4/c1-17(2)30-22-13-12-18(16-20(22)25)24(27)26-21-10-6-7-11-23(21)29-15-14-28-19-8-4-3-5-9-19/h3-13,16-17H,14-15H2,1-2H3,(H,26,27).
What are the key properties of 3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide?
3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 470.36 g/mol, XLogP of 5.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 17130977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).