N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide

C17H15ClINO3 — CID 55677230

IUPACN-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccc(I)cc2Cl)cc1
InChIInChI=1S/C17H15ClINO3/c1-2-16(21)11-3-6-13(7-4-11)23-10-17(22)20-15-8-5-12(19)9-14(15)18/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyHKDAFCKIXNFHSJ-UHFFFAOYSA-N
MW443.67 g/mol
LogP4.55
Rot. Bonds6

About N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide

N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide (PubChem CID 55677230) has the molecular formula C17H15ClINO3 and a molecular weight of 443.67 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide
PubChem CID55677230
Molecular FormulaC17H15ClINO3
Molecular Weight443.67 g/mol
Exact Mass442.98
IUPAC NameN-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccc(I)cc2Cl)cc1
InChIInChI=1S/C17H15ClINO3/c1-2-16(21)11-3-6-13(7-4-11)23-10-17(22)20-15-8-5-12(19)9-14(15)18/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyHKDAFCKIXNFHSJ-UHFFFAOYSA-N
XLogP4.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.67
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855164
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 40719319
N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide
CID 2711563
N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide
CID 39166764
N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604535
4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 55670012
N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2709416
N-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 55812079
N-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7788200
N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
CID 7044052
N-(2-chloro-4-iodophenyl)-4-methoxybenzamide
CID 1370705
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide (CID 55677230) is N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)Nc2ccc(I)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide?
The InChIKey is HKDAFCKIXNFHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClINO3/c1-2-16(21)11-3-6-13(7-4-11)23-10-17(22)20-15-8-5-12(19)9-14(15)18/h3-9H,2,10H2,1H3,(H,20,22).
What are the key properties of N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide?
N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide has a molecular weight of 443.67 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 55677230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).