N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide

C14H20INO2 — CID 97339820

IUPACN-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide
SMILESCC(C)(C)[C@@H](CCO)NC(=O)c1ccccc1I
InChIInChI=1S/C14H20INO2/c1-14(2,3)12(8-9-17)16-13(18)10-6-4-5-7-11(10)15/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyYOGKQTZZKPLKJD-GFCCVEGCSA-N
MW361.22 g/mol
LogP2.82
Rot. Bonds4

About N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide

N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide (PubChem CID 97339820) has the molecular formula C14H20INO2 and a molecular weight of 361.22 g/mol. Its IUPAC name is N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide
PubChem CID97339820
Molecular FormulaC14H20INO2
Molecular Weight361.22 g/mol
Exact Mass361.05
IUPAC NameN-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide
SMILESCC(C)(C)[C@@H](CCO)NC(=O)c1ccccc1I
InChIInChI=1S/C14H20INO2/c1-14(2,3)12(8-9-17)16-13(18)10-6-4-5-7-11(10)15/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyYOGKQTZZKPLKJD-GFCCVEGCSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-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

3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347949
3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide
CID 104630338
(2R)-2-[(2-iodobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 113353045
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide
CID 103940867
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide
CID 65312404
2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353093
N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 97339825
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide
CID 106356170
5-chloro-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941089
2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347919
3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347855

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide?
The IUPAC name of N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide (CID 97339820) is N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide.
What is the SMILES notation for N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide?
The canonical SMILES for N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide is CC(C)(C)[C@@H](CCO)NC(=O)c1ccccc1I.
What is the InChIKey of N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide?
The InChIKey is YOGKQTZZKPLKJD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20INO2/c1-14(2,3)12(8-9-17)16-13(18)10-6-4-5-7-11(10)15/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide?
N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide has a molecular weight of 361.22 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide is sourced from PubChem (CID 97339820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).