N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide

C14H11BrClIN2O2 — CID 100828589

IUPACN-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide
SMILESCOc1cc(N)cc(Br)c1NC(=O)c1cc(I)ccc1Cl
InChIInChI=1S/C14H11BrClIN2O2/c1-21-12-6-8(18)5-10(15)13(12)19-14(20)9-4-7(17)2-3-11(9)16/h2-6H,18H2,1H3,(H,19,20)
InChIKeyOGUWVJWSFDVQBA-UHFFFAOYSA-N
MW481.52 g/mol
LogP4.55
Rot. Bonds3

About N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide

N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide (PubChem CID 100828589) has the molecular formula C14H11BrClIN2O2 and a molecular weight of 481.52 g/mol. Its IUPAC name is N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide
PubChem CID100828589
Molecular FormulaC14H11BrClIN2O2
Molecular Weight481.52 g/mol
Exact Mass479.87
IUPAC NameN-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide
SMILESCOc1cc(N)cc(Br)c1NC(=O)c1cc(I)ccc1Cl
InChIInChI=1S/C14H11BrClIN2O2/c1-21-12-6-8(18)5-10(15)13(12)19-14(20)9-4-7(17)2-3-11(9)16/h2-6H,18H2,1H3,(H,19,20)
InChIKeyOGUWVJWSFDVQBA-UHFFFAOYSA-N
XLogP4.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide
CID 100828602
N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide
CID 100828548
N-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide
CID 100828565
N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide
CID 100828551
2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide
CID 3939031
N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide
CID 100828622
N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide
CID 100828508
4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide
CID 78987641
5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 28983950
5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide
CID 107608763
5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide
CID 61094355
N-(4-amino-2-chloro-6-methoxyphenyl)acetamide
CID 100828458

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide?
The IUPAC name of N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide (CID 100828589) is N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide.
What is the SMILES notation for N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide?
The canonical SMILES for N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide is COc1cc(N)cc(Br)c1NC(=O)c1cc(I)ccc1Cl.
What is the InChIKey of N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide?
The InChIKey is OGUWVJWSFDVQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClIN2O2/c1-21-12-6-8(18)5-10(15)13(12)19-14(20)9-4-7(17)2-3-11(9)16/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide?
N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide has a molecular weight of 481.52 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide is sourced from PubChem (CID 100828589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).