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

C20H10Cl3IN2O2 — CID 23739200

IUPAC2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
SMILESO=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1cc(I)ccc1Cl
InChIInChI=1S/C20H10Cl3IN2O2/c21-10-1-4-13(16(23)7-10)20-26-17-9-12(3-6-18(17)28-20)25-19(27)14-8-11(24)2-5-15(14)22/h1-9H,(H,25,27)
InChIKeyGGVNGQRFXMTVGN-UHFFFAOYSA-N
MW543.58 g/mol
LogP7.31
Rot. Bonds3

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

2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide (PubChem CID 23739200) has the molecular formula C20H10Cl3IN2O2 and a molecular weight of 543.58 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
PubChem CID23739200
Molecular FormulaC20H10Cl3IN2O2
Molecular Weight543.58 g/mol
Exact Mass541.89
IUPAC Name2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
SMILESO=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1cc(I)ccc1Cl
InChIInChI=1S/C20H10Cl3IN2O2/c21-10-1-4-13(16(23)7-10)20-26-17-9-12(3-6-18(17)28-20)25-19(27)14-8-11(24)2-5-15(14)22/h1-9H,(H,25,27)
InChIKeyGGVNGQRFXMTVGN-UHFFFAOYSA-N
XLogP7.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.58
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide
CID 3131494
2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 3112274
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 2294657
2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880527
5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23821250
2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095805
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 1049602
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,5-diiodobenzamide
CID 46495863
2,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1085270
2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide?
The IUPAC name of 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide (CID 23739200) is 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide?
The canonical SMILES for 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide is O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1cc(I)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide?
The InChIKey is GGVNGQRFXMTVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl3IN2O2/c21-10-1-4-13(16(23)7-10)20-26-17-9-12(3-6-18(17)28-20)25-19(27)14-8-11(24)2-5-15(14)22/h1-9H,(H,25,27).
What are the key properties of 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide?
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide has a molecular weight of 543.58 g/mol, XLogP of 7.31, 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-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide is sourced from PubChem (CID 23739200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).