N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide

C16H13ClINO4 — CID 17202159

IUPACN-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
SMILESCOc1cc(C=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClINO4/c1-22-14-7-10(8-20)6-13(18)16(14)23-9-15(21)19-12-4-2-11(17)3-5-12/h2-8H,9H2,1H3,(H,19,21)
InChIKeyNFSIASWUXCXVJG-UHFFFAOYSA-N
MW445.64 g/mol
LogP3.78
Rot. Bonds6

About N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide

N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide (PubChem CID 17202159) has the molecular formula C16H13ClINO4 and a molecular weight of 445.64 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
PubChem CID17202159
Molecular FormulaC16H13ClINO4
Molecular Weight445.64 g/mol
Exact Mass444.96
IUPAC NameN-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
SMILESCOc1cc(C=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClINO4/c1-22-14-7-10(8-20)6-13(18)16(14)23-9-15(21)19-12-4-2-11(17)3-5-12/h2-8H,9H2,1H3,(H,19,21)
InChIKeyNFSIASWUXCXVJG-UHFFFAOYSA-N
XLogP3.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.64
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 126278513
4-chloro-N-[(Z)-[3-iodo-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126200271
N-(4-chlorophenyl)-2-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-iodo-6-methoxyphenoxy]acetamide
CID 126233397
(E)-3-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 126225672
N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
CID 28913369
N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
CID 126259987
N-(4-chlorophenyl)-2-[2-iodo-6-methoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide
CID 126272361
N-(4-chlorophenyl)-2-[4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-iodo-6-methoxyphenoxy]acetamide
CID 126413353
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 19578086
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 28913450
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 21211286

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide (CID 17202159) is N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide is COc1cc(C=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide?
The InChIKey is NFSIASWUXCXVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClINO4/c1-22-14-7-10(8-20)6-13(18)16(14)23-9-15(21)19-12-4-2-11(17)3-5-12/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide?
N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide has a molecular weight of 445.64 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide is sourced from PubChem (CID 17202159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).