N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodobenzamide

C19H12ClI2NO2 — CID 90645531

IUPACN-[4-(4-chlorophenoxy)phenyl]-3,5-diiodobenzamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc(I)cc(I)c1
InChIInChI=1S/C19H12ClI2NO2/c20-13-1-5-17(6-2-13)25-18-7-3-16(4-8-18)23-19(24)12-9-14(21)11-15(22)10-12/h1-11H,(H,23,24)
InChIKeyBESCLJOAASIDEQ-UHFFFAOYSA-N
MW575.57 g/mol
LogP6.59
Rot. Bonds4

About N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodobenzamide

N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodobenzamide (PubChem CID 90645531) has the molecular formula C19H12ClI2NO2 and a molecular weight of 575.57 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodobenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-3,5-diiodobenzamide
PubChem CID90645531
Molecular FormulaC19H12ClI2NO2
Molecular Weight575.57 g/mol
Exact Mass574.86
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-3,5-diiodobenzamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc(I)cc(I)c1
InChIInChI=1S/C19H12ClI2NO2/c20-13-1-5-17(6-2-13)25-18-7-3-16(4-8-18)23-19(24)12-9-14(21)11-15(22)10-12/h1-11H,(H,23,24)
InChIKeyBESCLJOAASIDEQ-UHFFFAOYSA-N
XLogP6.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.57
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Rafoxanide
CID 31475
2-(Acetyloxy)-N-(4-chlorophenyl)-3,5-diiodobenzamide
CID 26695
Benzamide, N-(4-ethoxyphenyl)-
CID 203878
4-Chloro-N-(4-methoxyphenyl)benzamide
CID 221848
2-chloro-N-(4-methoxyphenyl)benzamide
CID 346660
4-Chloro-4'-ethoxybenzanilide
CID 587141
3-benzamido-N-(4-ethoxyphenyl)benzamide
CID 1308956
4-(Acetylamino)phenyl 4-chlorobenzoate
CID 586902
N-[4-(benzyloxy)phenyl]benzamide
CID 732389
2-[(4-Chlorobenzoyl)amino]phenyl 4-chlorobenzoate
CID 1375607
2-[4-(4-chlorophenoxy)phenyl]-3-methyl-1H-quinolin-4-one
CID 67609322
2-amino-5-[4-[(4-chlorobenzoyl)amino]phenoxy]-N-methylbenzamide
CID 73504975

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodobenzamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodobenzamide (CID 90645531) is N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodobenzamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodobenzamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodobenzamide is O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc(I)cc(I)c1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodobenzamide?
The InChIKey is BESCLJOAASIDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClI2NO2/c20-13-1-5-17(6-2-13)25-18-7-3-16(4-8-18)23-19(24)12-9-14(21)11-15(22)10-12/h1-11H,(H,23,24).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodobenzamide?
N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodobenzamide has a molecular weight of 575.57 g/mol, XLogP of 6.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-3,5-diiodobenzamide is sourced from PubChem (CID 90645531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).