3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide

C10H11ClINO2 — CID 103884729

IUPAC3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide
SMILESC[C@@H](O)CNC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C10H11ClINO2/c1-6(14)5-13-10(15)7-2-3-9(12)8(11)4-7/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m1/s1
InChIKeyFRNKPFAICQOYMR-ZCFIWIBFSA-N
MW339.56 g/mol
LogP2.06
Rot. Bonds3

About 3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide

3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide (PubChem CID 103884729) has the molecular formula C10H11ClINO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide
PubChem CID103884729
Molecular FormulaC10H11ClINO2
Molecular Weight339.56 g/mol
Exact Mass338.95
IUPAC Name3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide
SMILESC[C@@H](O)CNC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C10H11ClINO2/c1-6(14)5-13-10(15)7-2-3-9(12)8(11)4-7/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m1/s1
InChIKeyFRNKPFAICQOYMR-ZCFIWIBFSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[(2R)-2-hydroxypropyl]-4-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

3-chloro-N-(3-hydroxybutyl)-4-iodobenzamide
CID 103736317
3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide
CID 103209174
3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829252
3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
CID 103737133
3-chloro-N-(4-chloro-2-methylbutyl)-4-iodobenzamide
CID 103212434
3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide
CID 103770165
N-(2-aminobutyl)-3-chloro-4-iodobenzamide
CID 103209439
4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide
CID 83059203
3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 103734931
3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide
CID 103734734
3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 103955565
3-chloro-4-iodo-N-(3-iodopropyl)benzamide
CID 103212807

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide?
The IUPAC name of 3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide (CID 103884729) is 3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide is C[C@@H](O)CNC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide?
The InChIKey is FRNKPFAICQOYMR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11ClINO2/c1-6(14)5-13-10(15)7-2-3-9(12)8(11)4-7/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide?
3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide has a molecular weight of 339.56 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide is sourced from PubChem (CID 103884729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).