3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide

C14H6Br2ClF3INO — CID 4209824

IUPAC3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(Br)cc(Br)c1I
InChIInChI=1S/C14H6Br2ClF3INO/c15-6-3-8(12(21)10(16)4-6)13(23)22-11-2-1-7(17)5-9(11)14(18,19)20/h1-5H,(H,22,23)
InChIKeyHXBGSQTWLQWPNU-UHFFFAOYSA-N
MW583.37 g/mol
LogP6.74
Rot. Bonds2

About 3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide

3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide (PubChem CID 4209824) has the molecular formula C14H6Br2ClF3INO and a molecular weight of 583.37 g/mol. Its IUPAC name is 3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide
PubChem CID4209824
Molecular FormulaC14H6Br2ClF3INO
Molecular Weight583.37 g/mol
Exact Mass580.75
IUPAC Name3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(Br)cc(Br)c1I
InChIInChI=1S/C14H6Br2ClF3INO/c15-6-3-8(12(21)10(16)4-6)13(23)22-11-2-1-7(17)5-9(11)14(18,19)20/h1-5H,(H,22,23)
InChIKeyHXBGSQTWLQWPNU-UHFFFAOYSA-N
XLogP6.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.37
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-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

2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
(2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 4685388
2,3-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 2296110
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43411079
3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide
CID 3465386
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 2296321
N-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-3-carboxamide
CID 17172977
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea
CID 4643198
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide
CID 110863795
2-(4-bromophenyl)sulfanyl-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 5140284

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide?
The IUPAC name of 3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide (CID 4209824) is 3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide.
What is the SMILES notation for 3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide?
The canonical SMILES for 3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(Br)cc(Br)c1I.
What is the InChIKey of 3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide?
The InChIKey is HXBGSQTWLQWPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2ClF3INO/c15-6-3-8(12(21)10(16)4-6)13(23)22-11-2-1-7(17)5-9(11)14(18,19)20/h1-5H,(H,22,23).
What are the key properties of 3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide?
3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide has a molecular weight of 583.37 g/mol, XLogP of 6.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide is sourced from PubChem (CID 4209824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).