3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide

C16H14BrCl2NO2 — CID 17342688

IUPAC3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C16H14BrCl2NO2/c1-2-7-22-15-6-3-10(8-12(15)17)16(21)20-11-4-5-13(18)14(19)9-11/h3-6,8-9H,2,7H2,1H3,(H,20,21)
InChIKeyAMBYOMQPMSIIPI-UHFFFAOYSA-N
MW403.10 g/mol
LogP5.80
Rot. Bonds5

About 3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide

3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide (PubChem CID 17342688) has the molecular formula C16H14BrCl2NO2 and a molecular weight of 403.10 g/mol. Its IUPAC name is 3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
PubChem CID17342688
Molecular FormulaC16H14BrCl2NO2
Molecular Weight403.10 g/mol
Exact Mass400.96
IUPAC Name3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C16H14BrCl2NO2/c1-2-7-22-15-6-3-10(8-12(15)17)16(21)20-11-4-5-13(18)14(19)9-11/h3-6,8-9H,2,7H2,1H3,(H,20,21)
InChIKeyAMBYOMQPMSIIPI-UHFFFAOYSA-N
XLogP5.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.10
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide 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

3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide
CID 17339348
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
3-bromo-N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-4-propoxybenzamide
CID 26166839
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
3-bromo-4-propoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 17342734
3-bromo-4-butoxy-N-(3-chloro-4-fluorophenyl)benzamide
CID 4955807
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide
CID 17096782
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide
CID 17154780
3-bromo-4-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642675

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide (CID 17342688) is 3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br.
What is the InChIKey of 3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide?
The InChIKey is AMBYOMQPMSIIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO2/c1-2-7-22-15-6-3-10(8-12(15)17)16(21)20-11-4-5-13(18)14(19)9-11/h3-6,8-9H,2,7H2,1H3,(H,20,21).
What are the key properties of 3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide?
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide has a molecular weight of 403.10 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide is sourced from PubChem (CID 17342688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).