N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide

C24H13Cl2IN2O3 — CID 43914043

IUPACN-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C24H13Cl2IN2O3/c25-14-3-1-2-13(10-14)20-8-9-22(31-20)23(30)28-16-5-7-21-19(12-16)29-24(32-21)17-11-15(27)4-6-18(17)26/h1-12H,(H,28,30)
InChIKeyHRZZESNTEZDEBP-UHFFFAOYSA-N
MW575.19 g/mol
LogP7.92
Rot. Bonds4

About N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide

N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide (PubChem CID 43914043) has the molecular formula C24H13Cl2IN2O3 and a molecular weight of 575.19 g/mol. Its IUPAC name is N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide
PubChem CID43914043
Molecular FormulaC24H13Cl2IN2O3
Molecular Weight575.19 g/mol
Exact Mass573.93
IUPAC NameN-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C24H13Cl2IN2O3/c25-14-3-1-2-13(10-14)20-8-9-22(31-20)23(30)28-16-5-7-21-19(12-16)29-24(32-21)17-11-15(27)4-6-18(17)26/h1-12H,(H,28,30)
InChIKeyHRZZESNTEZDEBP-UHFFFAOYSA-N
XLogP7.92
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.19
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3125086
5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124271
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 43914121
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 2718775
5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124272
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide
CID 43914414
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 1348589
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 23960391
5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 23820161
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 21213283
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3381249
N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
CID 23994777

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide (CID 43914043) is N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide is O=C(Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide?
The InChIKey is HRZZESNTEZDEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl2IN2O3/c25-14-3-1-2-13(10-14)20-8-9-22(31-20)23(30)28-16-5-7-21-19(12-16)29-24(32-21)17-11-15(27)4-6-18(17)26/h1-12H,(H,28,30).
What are the key properties of N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide?
N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide has a molecular weight of 575.19 g/mol, XLogP of 7.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 43914043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).