N-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C17H12ClIN2O2 — CID 55677449

IUPACN-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESO=C(Cc1coc(-c2ccccc2)n1)Nc1ccc(I)cc1Cl
InChIInChI=1S/C17H12ClIN2O2/c18-14-8-12(19)6-7-15(14)21-16(22)9-13-10-23-17(20-13)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,21,22)
InChIKeyUFLNPNXGOJYWKI-UHFFFAOYSA-N
MW438.65 g/mol
LogP4.78
Rot. Bonds4

About N-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 55677449) has the molecular formula C17H12ClIN2O2 and a molecular weight of 438.65 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID55677449
Molecular FormulaC17H12ClIN2O2
Molecular Weight438.65 g/mol
Exact Mass437.96
IUPAC NameN-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESO=C(Cc1coc(-c2ccccc2)n1)Nc1ccc(I)cc1Cl
InChIInChI=1S/C17H12ClIN2O2/c18-14-8-12(19)6-7-15(14)21-16(22)9-13-10-23-17(20-13)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,21,22)
InChIKeyUFLNPNXGOJYWKI-UHFFFAOYSA-N
XLogP4.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.65
LogP ≤ 54.78
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

N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39427929
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 86865948
N-(2-chloro-4-iodophenyl)-2-phenylacetamide
CID 1371739
N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39427770
N-(2-acetylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34805925
N-(2,3-dimethylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39428151
N-(4-anilinophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55457295
2-[2-(2-chloro-4-iodoanilino)-2-oxoethyl]benzoic acid
CID 104601404
N-(5-fluoro-2-methylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34803562
methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 38239776
N-(3,5-difluorophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34169541
2-(2-phenyl-1,3-oxazol-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39427955

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 55677449) is N-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is O=C(Cc1coc(-c2ccccc2)n1)Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is UFLNPNXGOJYWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClIN2O2/c18-14-8-12(19)6-7-15(14)21-16(22)9-13-10-23-17(20-13)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,21,22).
What are the key properties of N-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 438.65 g/mol, XLogP of 4.78, 4 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-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 55677449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).