3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide

C17H16BrCl2NO2 — CID 17351668

IUPAC3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)Cl)Br
InChIInChI=1S/C17H16BrCl2NO2/c1-10(2)9-23-16-6-3-11(7-13(16)18)17(22)21-15-8-12(19)4-5-14(15)20/h3-8,10H,9H2,1-2H3,(H,21,22)
InChIKeyJDZUFVNCRRKSJE-UHFFFAOYSA-N
MW417.10 g/mol
LogP6.00
Rot. Bonds5

About 3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide

3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide (PubChem CID 17351668) has the molecular formula C17H16BrCl2NO2 and a molecular weight of 417.10 g/mol. Its IUPAC name is 3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide
PubChem CID17351668
Molecular FormulaC17H16BrCl2NO2
Molecular Weight417.10 g/mol
Exact Mass414.97
IUPAC Name3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)Cl)Br
InChIInChI=1S/C17H16BrCl2NO2/c1-10(2)9-23-16-6-3-11(7-13(16)18)17(22)21-15-8-12(19)4-5-14(15)20/h3-8,10H,9H2,1-2H3,(H,21,22)
InChIKeyJDZUFVNCRRKSJE-UHFFFAOYSA-N
XLogP6.00
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity397

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.10
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide (CID 17351668) is 3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide is CC(C)COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)Cl)Br.
What is the InChIKey of 3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide?
The InChIKey is JDZUFVNCRRKSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrCl2NO2/c1-10(2)9-23-16-6-3-11(7-13(16)18)17(22)21-15-8-12(19)4-5-14(15)20/h3-8,10H,9H2,1-2H3,(H,21,22).
What are the key properties of 3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide?
3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide has a molecular weight of 417.10 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17351668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).