5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide

C21H24BrClN2O3 — CID 17174598

IUPAC5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2OCC(C)C)c1
InChIInChI=1S/C21H24BrClN2O3/c1-4-5-20(26)24-15-7-8-17(23)18(11-15)25-21(27)16-10-14(22)6-9-19(16)28-12-13(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyNMSWHTFVNVFXOT-UHFFFAOYSA-N
MW467.79 g/mol
LogP6.13
Rot. Bonds8

About 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide

5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide (PubChem CID 17174598) has the molecular formula C21H24BrClN2O3 and a molecular weight of 467.79 g/mol. Its IUPAC name is 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide
PubChem CID17174598
Molecular FormulaC21H24BrClN2O3
Molecular Weight467.79 g/mol
Exact Mass466.07
IUPAC Name5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2OCC(C)C)c1
InChIInChI=1S/C21H24BrClN2O3/c1-4-5-20(26)24-15-7-8-17(23)18(11-15)25-21(27)16-10-14(22)6-9-19(16)28-12-13(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyNMSWHTFVNVFXOT-UHFFFAOYSA-N
XLogP6.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.79
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-phenylethoxy)benzamide
CID 17174595
5-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17202795
5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 17050839
4-[2-[5-bromo-2-(2-methylpropoxy)benzoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 17051020
N-[3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-4-chlorophenyl]butanamide
CID 17174600
N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide
CID 960096
5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide
CID 17187649
5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 17050838
5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096800
5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 17050842
N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17187605
5-bromo-2-(2-methylpropoxy)-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157667

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide?
The IUPAC name of 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide (CID 17174598) is 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide?
The canonical SMILES for 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2OCC(C)C)c1.
What is the InChIKey of 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide?
The InChIKey is NMSWHTFVNVFXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrClN2O3/c1-4-5-20(26)24-15-7-8-17(23)18(11-15)25-21(27)16-10-14(22)6-9-19(16)28-12-13(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide?
5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide has a molecular weight of 467.79 g/mol, XLogP of 6.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17174598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).