5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide

C18H19BrClNO3 — CID 17050839

IUPAC5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
SMILESCOc1ccc(NC(=O)c2cc(Br)ccc2OCC(C)C)cc1Cl
InChIInChI=1S/C18H19BrClNO3/c1-11(2)10-24-16-6-4-12(19)8-14(16)18(22)21-13-5-7-17(23-3)15(20)9-13/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyVFWNYUGQESQHDE-UHFFFAOYSA-N
MW412.71 g/mol
LogP5.40
Rot. Bonds6

About 5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide

5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide (PubChem CID 17050839) has the molecular formula C18H19BrClNO3 and a molecular weight of 412.71 g/mol. Its IUPAC name is 5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
PubChem CID17050839
Molecular FormulaC18H19BrClNO3
Molecular Weight412.71 g/mol
Exact Mass411.02
IUPAC Name5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
SMILESCOc1ccc(NC(=O)c2cc(Br)ccc2OCC(C)C)cc1Cl
InChIInChI=1S/C18H19BrClNO3/c1-11(2)10-24-16-6-4-12(19)8-14(16)18(22)21-13-5-7-17(23-3)15(20)9-13/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyVFWNYUGQESQHDE-UHFFFAOYSA-N
XLogP5.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.71
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530
5-bromo-N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17351116
5-bromo-2-(2-methylpropoxy)-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157667
5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide
CID 17174598
5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 17050838
5-bromo-N-[4-(3-methylbutoxy)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050851
5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17357254
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17204643
5-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 9320508
5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide
CID 17051555
5-bromo-2-butoxy-N-[(3-chloro-4-methoxyphenyl)carbamothioyl]benzamide
CID 17350512
5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096800

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide?
The IUPAC name of 5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide (CID 17050839) is 5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for 5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide?
The canonical SMILES for 5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide is COc1ccc(NC(=O)c2cc(Br)ccc2OCC(C)C)cc1Cl.
What is the InChIKey of 5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide?
The InChIKey is VFWNYUGQESQHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO3/c1-11(2)10-24-16-6-4-12(19)8-14(16)18(22)21-13-5-7-17(23-3)15(20)9-13/h4-9,11H,10H2,1-3H3,(H,21,22).
What are the key properties of 5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide?
5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide has a molecular weight of 412.71 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17050839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).