2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide

C15H10ClIN2O2 — CID 91683535

IUPAC2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESO=C(CCl)Nc1ccc2oc(-c3ccc(I)cc3)nc2c1
InChIInChI=1S/C15H10ClIN2O2/c16-8-14(20)18-11-5-6-13-12(7-11)19-15(21-13)9-1-3-10(17)4-2-9/h1-7H,8H2,(H,18,20)
InChIKeyYLBAEWSUWJDFGM-UHFFFAOYSA-N
MW412.61 g/mol
LogP4.28
Rot. Bonds3

About 2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide

2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 91683535) has the molecular formula C15H10ClIN2O2 and a molecular weight of 412.61 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
PubChem CID91683535
Molecular FormulaC15H10ClIN2O2
Molecular Weight412.61 g/mol
Exact Mass411.95
IUPAC Name2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESO=C(CCl)Nc1ccc2oc(-c3ccc(I)cc3)nc2c1
InChIInChI=1S/C15H10ClIN2O2/c16-8-14(20)18-11-5-6-13-12(7-11)19-15(21-13)9-1-3-10(17)4-2-9/h1-7H,8H2,(H,18,20)
InChIKeyYLBAEWSUWJDFGM-UHFFFAOYSA-N
XLogP4.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.61
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 91683555
2,2,2-trichloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 3515866
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15993120
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348156
2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91682504
2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 3112274
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 21211482
N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine
CID 91682505
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013315
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17172258
3,4,5-triethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23742080
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide
CID 1361244

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of 2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide (CID 91683535) is 2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide is O=C(CCl)Nc1ccc2oc(-c3ccc(I)cc3)nc2c1.
What is the InChIKey of 2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is YLBAEWSUWJDFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIN2O2/c16-8-14(20)18-11-5-6-13-12(7-11)19-15(21-13)9-1-3-10(17)4-2-9/h1-7H,8H2,(H,18,20).
What are the key properties of 2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide?
2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 412.61 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 91683535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).