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

C14H12ClIN2O2 — CID 100828565

IUPACN-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide
SMILESCOc1cc(N)cc(Cl)c1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H12ClIN2O2/c1-20-12-7-10(17)6-11(15)13(12)18-14(19)8-2-4-9(16)5-3-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyTUFAFYNROIUTEN-UHFFFAOYSA-N
MW402.62 g/mol
LogP3.79
Rot. Bonds3

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

N-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide (PubChem CID 100828565) has the molecular formula C14H12ClIN2O2 and a molecular weight of 402.62 g/mol. Its IUPAC name is N-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide
PubChem CID100828565
Molecular FormulaC14H12ClIN2O2
Molecular Weight402.62 g/mol
Exact Mass401.96
IUPAC NameN-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide
SMILESCOc1cc(N)cc(Cl)c1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H12ClIN2O2/c1-20-12-7-10(17)6-11(15)13(12)18-14(19)8-2-4-9(16)5-3-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyTUFAFYNROIUTEN-UHFFFAOYSA-N
XLogP3.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.62
LogP ≤ 53.79
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-2,6-dichlorophenyl)-4-methoxybenzamide
CID 16774813
N-(4-amino-2-chloro-6-methoxyphenyl)acetamide
CID 100828458
N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide
CID 100828589
4-amino-N-(4-amino-2,6-dichlorophenyl)benzamide
CID 20565335
N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide
CID 100828548
N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide
CID 100828622
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide
CID 100828508
N-(2-chloro-4-iodophenyl)-4-methoxybenzamide
CID 1370705
N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 100828700
N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide
CID 100828551

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide?
The IUPAC name of N-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide (CID 100828565) is N-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide.
What is the SMILES notation for N-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide?
The canonical SMILES for N-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide is COc1cc(N)cc(Cl)c1NC(=O)c1ccc(I)cc1.
What is the InChIKey of N-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide?
The InChIKey is TUFAFYNROIUTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O2/c1-20-12-7-10(17)6-11(15)13(12)18-14(19)8-2-4-9(16)5-3-8/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide?
N-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide has a molecular weight of 402.62 g/mol, XLogP of 3.79, 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-chloro-6-methoxyphenyl)-4-iodobenzamide is sourced from PubChem (CID 100828565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).