N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide

C13H7BrCl2INO — CID 107613087

IUPACN-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H7BrCl2INO/c14-9-3-2-8(6-10(9)15)18-13(19)7-1-4-12(17)11(16)5-7/h1-6H,(H,18,19)
InChIKeyMQDXWOMDOIKSPK-UHFFFAOYSA-N
MW470.92 g/mol
LogP5.61
Rot. Bonds2

About N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide

N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide (PubChem CID 107613087) has the molecular formula C13H7BrCl2INO and a molecular weight of 470.92 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
PubChem CID107613087
Molecular FormulaC13H7BrCl2INO
Molecular Weight470.92 g/mol
Exact Mass468.81
IUPAC NameN-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H7BrCl2INO/c14-9-3-2-8(6-10(9)15)18-13(19)7-1-4-12(17)11(16)5-7/h1-6H,(H,18,19)
InChIKeyMQDXWOMDOIKSPK-UHFFFAOYSA-N
XLogP5.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.92
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide 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-amino-4-bromophenyl)-3-chloro-4-iodobenzamide
CID 103218765
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 80961600
N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide
CID 107617517
N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide
CID 114051737
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride
CID 81290021
N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
CID 107619731
4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
CID 81295310
4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 81295822
3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide
CID 103738054
4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 81308168

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide (CID 107613087) is N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide is O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(I)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide?
The InChIKey is MQDXWOMDOIKSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2INO/c14-9-3-2-8(6-10(9)15)18-13(19)7-1-4-12(17)11(16)5-7/h1-6H,(H,18,19).
What are the key properties of N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide?
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide has a molecular weight of 470.92 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide is sourced from PubChem (CID 107613087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).