2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide

C20H11Cl2IN2O2 — CID 3112274

IUPAC2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
SMILESO=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cc(I)ccc1Cl
InChIInChI=1S/C20H11Cl2IN2O2/c21-12-3-1-11(2-4-12)20-25-17-10-14(6-8-18(17)27-20)24-19(26)15-9-13(23)5-7-16(15)22/h1-10H,(H,24,26)
InChIKeyKSYIOCHUANFBKE-UHFFFAOYSA-N
MW509.13 g/mol
LogP6.66
Rot. Bonds3

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

2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide (PubChem CID 3112274) has the molecular formula C20H11Cl2IN2O2 and a molecular weight of 509.13 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
PubChem CID3112274
Molecular FormulaC20H11Cl2IN2O2
Molecular Weight509.13 g/mol
Exact Mass507.92
IUPAC Name2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
SMILESO=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cc(I)ccc1Cl
InChIInChI=1S/C20H11Cl2IN2O2/c21-12-3-1-11(2-4-12)20-25-17-10-14(6-8-18(17)27-20)24-19(26)15-9-13(23)5-7-16(15)22/h1-10H,(H,24,26)
InChIKeyKSYIOCHUANFBKE-UHFFFAOYSA-N
XLogP6.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.13
LogP ≤ 56.66
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

2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 23739200
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,5-diiodobenzamide
CID 46495863
2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095805
2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide
CID 3131494
N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloro-5-iodobenzamide
CID 3291684
5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 1108422
3,4-dichloro-N-[4-[5-[(3,4-dichlorobenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]benzamide
CID 53356242
2,4-dichloro-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127512
2,5-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126552
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-fluorobenzamide
CID 2275789
2-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-iodobenzamide
CID 3117254

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide?
The IUPAC name of 2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide (CID 3112274) is 2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide?
The canonical SMILES for 2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide is O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cc(I)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide?
The InChIKey is KSYIOCHUANFBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2IN2O2/c21-12-3-1-11(2-4-12)20-25-17-10-14(6-8-18(17)27-20)24-19(26)15-9-13(23)5-7-16(15)22/h1-10H,(H,24,26).
What are the key properties of 2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide?
2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide has a molecular weight of 509.13 g/mol, XLogP of 6.66, 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-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide is sourced from PubChem (CID 3112274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).