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

C20H11Cl2IN2O3 — CID 3131494

IUPAC2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide
SMILESO=C(Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1cc(I)ccc1Cl
InChIInChI=1S/C20H11Cl2IN2O3/c21-10-1-6-18-16(7-10)25-20(28-18)14-9-12(3-5-17(14)26)24-19(27)13-8-11(23)2-4-15(13)22/h1-9,26H,(H,24,27)
InChIKeyNUKKRMNGQVBJKD-UHFFFAOYSA-N
MW525.13 g/mol
LogP6.36
Rot. Bonds3

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

2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide (PubChem CID 3131494) has the molecular formula C20H11Cl2IN2O3 and a molecular weight of 525.13 g/mol. Its IUPAC name is 2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide
PubChem CID3131494
Molecular FormulaC20H11Cl2IN2O3
Molecular Weight525.13 g/mol
Exact Mass523.92
IUPAC Name2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide
SMILESO=C(Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1cc(I)ccc1Cl
InChIInChI=1S/C20H11Cl2IN2O3/c21-10-1-6-18-16(7-10)25-20(28-18)14-9-12(3-5-17(14)26)24-19(27)13-8-11(23)2-4-15(13)22/h1-9,26H,(H,24,27)
InChIKeyNUKKRMNGQVBJKD-UHFFFAOYSA-N
XLogP6.36
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.13
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 23739200
2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 3112274
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide
CID 1362861
2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,5-diiodobenzamide
CID 46495863
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
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 7537272
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
CID 1389021
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
2,5-dichloro-N-[[4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]benzamide
CID 135775787
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,5-diiodobenzamide
CID 46495888

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide?
The IUPAC name of 2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide (CID 3131494) is 2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide.
What is the SMILES notation for 2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide?
The canonical SMILES for 2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide is O=C(Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1cc(I)ccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide?
The InChIKey is NUKKRMNGQVBJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2IN2O3/c21-10-1-6-18-16(7-10)25-20(28-18)14-9-12(3-5-17(14)26)24-19(27)13-8-11(23)2-4-15(13)22/h1-9,26H,(H,24,27).
What are the key properties of 2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide?
2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide has a molecular weight of 525.13 g/mol, XLogP of 6.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide is sourced from PubChem (CID 3131494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).