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

C14H10Br2INO2 — CID 3325521

IUPAC3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cc2I)cc1Br
InChIInChI=1S/C14H10Br2INO2/c1-20-13-5-2-8(6-10(13)16)14(19)18-12-4-3-9(15)7-11(12)17/h2-7H,1H3,(H,18,19)
InChIKeyKIRRUMRDJKBKQS-UHFFFAOYSA-N
MW510.95 g/mol
LogP5.08
Rot. Bonds3

About 3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide

3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide (PubChem CID 3325521) has the molecular formula C14H10Br2INO2 and a molecular weight of 510.95 g/mol. Its IUPAC name is 3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
PubChem CID3325521
Molecular FormulaC14H10Br2INO2
Molecular Weight510.95 g/mol
Exact Mass508.81
IUPAC Name3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cc2I)cc1Br
InChIInChI=1S/C14H10Br2INO2/c1-20-13-5-2-8(6-10(13)16)14(19)18-12-4-3-9(15)7-11(12)17/h2-7H,1H3,(H,18,19)
InChIKeyKIRRUMRDJKBKQS-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-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 79765984
4-bromo-N-(4-bromo-2-iodophenyl)benzamide
CID 3934518
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639
3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide
CID 81027184
3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
CID 107999128
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide
CID 29008332
3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
CID 23935414
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
4-bromo-N-[(4-bromo-2-iodophenyl)carbamothioyl]benzamide
CID 4212705

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide (CID 3325521) is 3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Br)cc2I)cc1Br.
What is the InChIKey of 3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide?
The InChIKey is KIRRUMRDJKBKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2INO2/c1-20-13-5-2-8(6-10(13)16)14(19)18-12-4-3-9(15)7-11(12)17/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide?
3-bromo-N-(4-bromo-2-iodophenyl)-4-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 3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide is sourced from PubChem (CID 3325521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).