3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide

C20H24BrNO4 — CID 17356436

IUPAC3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccc(OCC(C)C)cc2)cc1Br
InChIInChI=1S/C20H24BrNO4/c1-14(2)13-26-17-7-5-16(6-8-17)22-20(23)15-4-9-19(18(21)12-15)25-11-10-24-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyGCBFEDXFHCEAJI-UHFFFAOYSA-N
MW422.32 g/mol
LogP4.76
Rot. Bonds9

About 3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide

3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide (PubChem CID 17356436) has the molecular formula C20H24BrNO4 and a molecular weight of 422.32 g/mol. Its IUPAC name is 3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide
PubChem CID17356436
Molecular FormulaC20H24BrNO4
Molecular Weight422.32 g/mol
Exact Mass421.09
IUPAC Name3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccc(OCC(C)C)cc2)cc1Br
InChIInChI=1S/C20H24BrNO4/c1-14(2)13-26-17-7-5-16(6-8-17)22-20(23)15-4-9-19(18(21)12-15)25-11-10-24-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyGCBFEDXFHCEAJI-UHFFFAOYSA-N
XLogP4.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 54.76
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-N-[4-(2-methylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17067240
3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 17339461
3-bromo-N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17351718
3-bromo-N-[4-[[4-[[3-bromo-4-(2-methoxyethoxy)benzoyl]amino]phenyl]methyl]phenyl]-4-(2-methoxyethoxy)benzamide
CID 17357137
3-bromo-N-[4-(2-cyclohexylethoxy)phenyl]-4-(2-methylpropoxy)benzamide
CID 17137779
3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide
CID 17342923
3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide
CID 17339332
3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide
CID 17351586
3-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 17199563
3-bromo-4-(2-methoxyethoxy)-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17079943
3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 17339336
3-bromo-N-(4-heptoxyphenyl)-4-hexoxybenzamide
CID 4959571

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide?
The IUPAC name of 3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide (CID 17356436) is 3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide is COCCOc1ccc(C(=O)Nc2ccc(OCC(C)C)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide?
The InChIKey is GCBFEDXFHCEAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO4/c1-14(2)13-26-17-7-5-16(6-8-17)22-20(23)15-4-9-19(18(21)12-15)25-11-10-24-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,23).
What are the key properties of 3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide?
3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide has a molecular weight of 422.32 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide is sourced from PubChem (CID 17356436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).