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

C25H24BrClN2O3 — CID 17174595

IUPAC5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-phenylethoxy)benzamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1
InChIInChI=1S/C25H24BrClN2O3/c1-2-6-24(30)28-19-10-11-21(27)22(16-19)29-25(31)20-15-18(26)9-12-23(20)32-14-13-17-7-4-3-5-8-17/h3-5,7-12,15-16H,2,6,13-14H2,1H3,(H,28,30)(H,29,31)
InChIKeyYCRXVODWVQCEJT-UHFFFAOYSA-N
MW515.84 g/mol
LogP6.71
Rot. Bonds9

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

5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-phenylethoxy)benzamide (PubChem CID 17174595) has the molecular formula C25H24BrClN2O3 and a molecular weight of 515.84 g/mol. Its IUPAC name is 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-phenylethoxy)benzamide
PubChem CID17174595
Molecular FormulaC25H24BrClN2O3
Molecular Weight515.84 g/mol
Exact Mass514.07
IUPAC Name5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-phenylethoxy)benzamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1
InChIInChI=1S/C25H24BrClN2O3/c1-2-6-24(30)28-19-10-11-21(27)22(16-19)29-25(31)20-15-18(26)9-12-23(20)32-14-13-17-7-4-3-5-8-17/h3-5,7-12,15-16H,2,6,13-14H2,1H3,(H,28,30)(H,29,31)
InChIKeyYCRXVODWVQCEJT-UHFFFAOYSA-N
XLogP6.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.84
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide
CID 17174598
5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17046139
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046203
5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17046073
N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide
CID 960096
5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide
CID 17046174
5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17098212
5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131495
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403
5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17046227
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(2-phenylethoxy)benzamide
CID 17204640

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-phenylethoxy)benzamide?
The IUPAC name of 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-phenylethoxy)benzamide (CID 17174595) is 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-phenylethoxy)benzamide?
The canonical SMILES for 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-phenylethoxy)benzamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1.
What is the InChIKey of 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-phenylethoxy)benzamide?
The InChIKey is YCRXVODWVQCEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrClN2O3/c1-2-6-24(30)28-19-10-11-21(27)22(16-19)29-25(31)20-15-18(26)9-12-23(20)32-14-13-17-7-4-3-5-8-17/h3-5,7-12,15-16H,2,6,13-14H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-phenylethoxy)benzamide?
5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-phenylethoxy)benzamide has a molecular weight of 515.84 g/mol, XLogP of 6.71, 9 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-phenylethoxy)benzamide is sourced from PubChem (CID 17174595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).