5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide

C15H13ClINO2 — CID 103771882

IUPAC5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cc(Cl)ccc1I
InChIInChI=1S/C15H13ClINO2/c16-11-3-6-14(17)13(9-11)15(20)18-12-4-1-10(2-5-12)7-8-19/h1-6,9,19H,7-8H2,(H,18,20)
InChIKeyYIQIGUDIVZLHIE-UHFFFAOYSA-N
MW401.63 g/mol
LogP3.73
Rot. Bonds4

About 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide

5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide (PubChem CID 103771882) has the molecular formula C15H13ClINO2 and a molecular weight of 401.63 g/mol. Its IUPAC name is 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide
PubChem CID103771882
Molecular FormulaC15H13ClINO2
Molecular Weight401.63 g/mol
Exact Mass400.97
IUPAC Name5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cc(Cl)ccc1I
InChIInChI=1S/C15H13ClINO2/c16-11-3-6-14(17)13(9-11)15(20)18-12-4-1-10(2-5-12)7-8-19/h1-6,9,19H,7-8H2,(H,18,20)
InChIKeyYIQIGUDIVZLHIE-UHFFFAOYSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.63
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-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

5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide
CID 61221964
N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide
CID 113265570
4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid
CID 21037055
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221414
1-(3-chlorophenyl)-3-[4-(2-hydroxyethyl)phenyl]urea
CID 61221273
3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 81002508
5-chloro-2-iodo-N-pyridin-3-ylbenzamide
CID 47188812
2-amino-N-(4-butylphenyl)-5-chlorobenzamide
CID 43378411
2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid
CID 61236618
4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide
CID 103865733
5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide
CID 107342948

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide?
The IUPAC name of 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide (CID 103771882) is 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide is O=C(Nc1ccc(CCO)cc1)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide?
The InChIKey is YIQIGUDIVZLHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO2/c16-11-3-6-14(17)13(9-11)15(20)18-12-4-1-10(2-5-12)7-8-19/h1-6,9,19H,7-8H2,(H,18,20).
What are the key properties of 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide?
5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide has a molecular weight of 401.63 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide is sourced from PubChem (CID 103771882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).