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)COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1Br
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
MW417.13 g/mol
LogP6.04
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 417.13 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 Weight417.13 g/mol
Exact Mass414.97
IUPAC Name3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1Br
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
XLogP6.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.13
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-(2-methylpropoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17351631
3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide
CID 17351586
3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
CID 17351710
3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351923
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708
3-bromo-N-[2-(2-methylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17074334
2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate
CID 4064798
3-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 17199563
N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide
CID 774907
3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide
CID 81027184
3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide
CID 4959418
3-bromo-4-(2-methylpropoxy)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 17351678

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)COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1Br.
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 417.13 g/mol, XLogP of 6.04, 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).