5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide

C14H10Br2INO2 — CID 4660639

IUPAC5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1I
InChIInChI=1S/C14H10Br2INO2/c1-20-13-5-3-8(15)6-10(13)14(19)18-12-4-2-9(16)7-11(12)17/h2-7H,1H3,(H,18,19)
InChIKeyHNCVTTJLSFHVOK-UHFFFAOYSA-N
MW510.95 g/mol
LogP5.08
Rot. Bonds3

About 5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide

5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide (PubChem CID 4660639) has the molecular formula C14H10Br2INO2 and a molecular weight of 510.95 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
PubChem CID4660639
Molecular FormulaC14H10Br2INO2
Molecular Weight510.95 g/mol
Exact Mass508.81
IUPAC Name5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1I
InChIInChI=1S/C14H10Br2INO2/c1-20-13-5-3-8(15)6-10(13)14(19)18-12-4-2-9(16)7-11(12)17/h2-7H,1H3,(H,18,19)
InChIKeyHNCVTTJLSFHVOK-UHFFFAOYSA-N
XLogP5.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.95
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 3452845
3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
CID 3325521
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307
4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid
CID 28671790
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide
CID 100828602
2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid
CID 1231034
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide
CID 4982416
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371
5-bromo-2-methoxy-N'-methylbenzohydrazide
CID 116846857
5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide (CID 4660639) is 5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1I.
What is the InChIKey of 5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide?
The InChIKey is HNCVTTJLSFHVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2INO2/c1-20-13-5-3-8(15)6-10(13)14(19)18-12-4-2-9(16)7-11(12)17/h2-7H,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide?
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide has a molecular weight of 510.95 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide is sourced from PubChem (CID 4660639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).