N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide

C15H13ClINO2 — CID 61061489

IUPACN-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1cccc(I)c1
InChIInChI=1S/C15H13ClINO2/c1-2-20-14-7-6-11(16)9-13(14)18-15(19)10-4-3-5-12(17)8-10/h3-9H,2H2,1H3,(H,18,19)
InChIKeyQHCVZHYYAIURLE-UHFFFAOYSA-N
MW401.63 g/mol
LogP4.60
Rot. Bonds4

About N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide

N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide (PubChem CID 61061489) has the molecular formula C15H13ClINO2 and a molecular weight of 401.63 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide
PubChem CID61061489
Molecular FormulaC15H13ClINO2
Molecular Weight401.63 g/mol
Exact Mass400.97
IUPAC NameN-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1cccc(I)c1
InChIInChI=1S/C15H13ClINO2/c1-2-20-14-7-6-11(16)9-13(14)18-15(19)10-4-3-5-12(17)8-10/h3-9H,2H2,1H3,(H,18,19)
InChIKeyQHCVZHYYAIURLE-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.63
LogP ≤ 54.60
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

N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide
CID 94763103
N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide
CID 100513507
3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
CID 63526145
N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55981731
3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 61102222
2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 4779142
N-(2-bromo-5-chlorophenyl)-3-iodobenzamide
CID 81270343
N-(5-chloro-2-ethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47267865
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide (CID 61061489) is N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide is CCOc1ccc(Cl)cc1NC(=O)c1cccc(I)c1.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide?
The InChIKey is QHCVZHYYAIURLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO2/c1-2-20-14-7-6-11(16)9-13(14)18-15(19)10-4-3-5-12(17)8-10/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide?
N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide has a molecular weight of 401.63 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide is sourced from PubChem (CID 61061489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).