3-bromo-N-(4-chloro-2-iodophenyl)benzamide

C13H8BrClINO — CID 107626124

IUPAC3-bromo-N-(4-chloro-2-iodophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1cccc(Br)c1
InChIInChI=1S/C13H8BrClINO/c14-9-3-1-2-8(6-9)13(18)17-12-5-4-10(15)7-11(12)16/h1-7H,(H,17,18)
InChIKeyHLSOJUHGBCRVGT-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.96
Rot. Bonds2

About 3-bromo-N-(4-chloro-2-iodophenyl)benzamide

3-bromo-N-(4-chloro-2-iodophenyl)benzamide (PubChem CID 107626124) has the molecular formula C13H8BrClINO and a molecular weight of 436.47 g/mol. Its IUPAC name is 3-bromo-N-(4-chloro-2-iodophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-chloro-2-iodophenyl)benzamide
PubChem CID107626124
Molecular FormulaC13H8BrClINO
Molecular Weight436.47 g/mol
Exact Mass434.85
IUPAC Name3-bromo-N-(4-chloro-2-iodophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1cccc(Br)c1
InChIInChI=1S/C13H8BrClINO/c14-9-3-1-2-8(6-9)13(18)17-12-5-4-10(15)7-11(12)16/h1-7H,(H,17,18)
InChIKeyHLSOJUHGBCRVGT-UHFFFAOYSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide
CID 107626139
N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide
CID 103766634
3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
CID 63526145
N-(4-bromo-2-iodophenyl)benzamide
CID 3321693
4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide
CID 1034731
4-bromo-N-(4-bromo-2-iodophenyl)benzamide
CID 3934518
3-bromo-N-(2,4,5-trifluorophenyl)benzamide
CID 62816801
N-(2-bromo-5-chlorophenyl)-3-iodobenzamide
CID 81270343
4-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzamide
CID 107625383
4-tert-butyl-N-(4-chloro-2-iodophenyl)benzamide
CID 107640588
2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide
CID 106899056

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloro-2-iodophenyl)benzamide?
The IUPAC name of 3-bromo-N-(4-chloro-2-iodophenyl)benzamide (CID 107626124) is 3-bromo-N-(4-chloro-2-iodophenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-chloro-2-iodophenyl)benzamide?
The canonical SMILES for 3-bromo-N-(4-chloro-2-iodophenyl)benzamide is O=C(Nc1ccc(Cl)cc1I)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(4-chloro-2-iodophenyl)benzamide?
The InChIKey is HLSOJUHGBCRVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClINO/c14-9-3-1-2-8(6-9)13(18)17-12-5-4-10(15)7-11(12)16/h1-7H,(H,17,18).
What are the key properties of 3-bromo-N-(4-chloro-2-iodophenyl)benzamide?
3-bromo-N-(4-chloro-2-iodophenyl)benzamide has a molecular weight of 436.47 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chloro-2-iodophenyl)benzamide is sourced from PubChem (CID 107626124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).