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

C25H32BrNO3 — CID 17137779

IUPAC3-bromo-N-[4-(2-cyclohexylethoxy)phenyl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(OCCC3CCCCC3)cc2)cc1Br
InChIInChI=1S/C25H32BrNO3/c1-18(2)17-30-24-13-8-20(16-23(24)26)25(28)27-21-9-11-22(12-10-21)29-15-14-19-6-4-3-5-7-19/h8-13,16,18-19H,3-7,14-15,17H2,1-2H3,(H,27,28)
InChIKeyUHGLVMVPZDUMBE-UHFFFAOYSA-N
MW474.44 g/mol
LogP7.09
Rot. Bonds9

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

3-bromo-N-[4-(2-cyclohexylethoxy)phenyl]-4-(2-methylpropoxy)benzamide (PubChem CID 17137779) has the molecular formula C25H32BrNO3 and a molecular weight of 474.44 g/mol. Its IUPAC name is 3-bromo-N-[4-(2-cyclohexylethoxy)phenyl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(2-cyclohexylethoxy)phenyl]-4-(2-methylpropoxy)benzamide
PubChem CID17137779
Molecular FormulaC25H32BrNO3
Molecular Weight474.44 g/mol
Exact Mass473.16
IUPAC Name3-bromo-N-[4-(2-cyclohexylethoxy)phenyl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(OCCC3CCCCC3)cc2)cc1Br
InChIInChI=1S/C25H32BrNO3/c1-18(2)17-30-24-13-8-20(16-23(24)26)25(28)27-21-9-11-22(12-10-21)29-15-14-19-6-4-3-5-7-19/h8-13,16,18-19H,3-7,14-15,17H2,1-2H3,(H,27,28)
InChIKeyUHGLVMVPZDUMBE-UHFFFAOYSA-N
XLogP7.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.44
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17351718
3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17356436
N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide
CID 17177481
3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 17339461
3-bromo-N-[4-(2-methylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17067240
3-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 17199563
4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide
CID 17137638
3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide
CID 17351586
N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide
CID 17137747
3-bromo-N-[4-(3-methylbutoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17067243
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
3-bromo-N-[(4-hexoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17352339

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(2-cyclohexylethoxy)phenyl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-bromo-N-[4-(2-cyclohexylethoxy)phenyl]-4-(2-methylpropoxy)benzamide (CID 17137779) is 3-bromo-N-[4-(2-cyclohexylethoxy)phenyl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-bromo-N-[4-(2-cyclohexylethoxy)phenyl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-bromo-N-[4-(2-cyclohexylethoxy)phenyl]-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)Nc2ccc(OCCC3CCCCC3)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-[4-(2-cyclohexylethoxy)phenyl]-4-(2-methylpropoxy)benzamide?
The InChIKey is UHGLVMVPZDUMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32BrNO3/c1-18(2)17-30-24-13-8-20(16-23(24)26)25(28)27-21-9-11-22(12-10-21)29-15-14-19-6-4-3-5-7-19/h8-13,16,18-19H,3-7,14-15,17H2,1-2H3,(H,27,28).
What are the key properties of 3-bromo-N-[4-(2-cyclohexylethoxy)phenyl]-4-(2-methylpropoxy)benzamide?
3-bromo-N-[4-(2-cyclohexylethoxy)phenyl]-4-(2-methylpropoxy)benzamide has a molecular weight of 474.44 g/mol, XLogP of 7.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(2-cyclohexylethoxy)phenyl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17137779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).