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

C14H10BrClINO2 — CID 78987641

IUPAC4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C14H10BrClINO2/c1-20-13-6-8(15)2-4-10(13)14(19)18-12-5-3-9(17)7-11(12)16/h2-7H,1H3,(H,18,19)
InChIKeyZJMSNAKDOONREN-UHFFFAOYSA-N
MW466.50 g/mol
LogP4.97
Rot. Bonds3

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

4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide (PubChem CID 78987641) has the molecular formula C14H10BrClINO2 and a molecular weight of 466.50 g/mol. Its IUPAC name is 4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide
PubChem CID78987641
Molecular FormulaC14H10BrClINO2
Molecular Weight466.50 g/mol
Exact Mass464.86
IUPAC Name4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C14H10BrClINO2/c1-20-13-6-8(15)2-4-10(13)14(19)18-12-5-3-9(17)7-11(12)16/h2-7H,1H3,(H,18,19)
InChIKeyZJMSNAKDOONREN-UHFFFAOYSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 54.97
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

4-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 78987594
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide
CID 107606789
4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide
CID 78987859
4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
CID 78987495
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 53267535
N-(2-acetamido-5-bromophenyl)-4-chloro-2-methoxybenzamide
CID 52851584
N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide
CID 107731654

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide (CID 78987641) is 4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of 4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide?
The InChIKey is ZJMSNAKDOONREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClINO2/c1-20-13-6-8(15)2-4-10(13)14(19)18-12-5-3-9(17)7-11(12)16/h2-7H,1H3,(H,18,19).
What are the key properties of 4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide?
4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide has a molecular weight of 466.50 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide is sourced from PubChem (CID 78987641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).