N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide

C16H16INO2 — CID 6709695

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
SMILESO=C(NC(CO)Cc1ccccc1)c1ccccc1I
InChIInChI=1S/C16H16INO2/c17-15-9-5-4-8-14(15)16(20)18-13(11-19)10-12-6-2-1-3-7-12/h1-9,13,19H,10-11H2,(H,18,20)
InChIKeyHVZNNUYJKVVQOQ-UHFFFAOYSA-N
MW381.21 g/mol
LogP2.62
Rot. Bonds5

About N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide

N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide (PubChem CID 6709695) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
PubChem CID6709695
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
SMILESO=C(NC(CO)Cc1ccccc1)c1ccccc1I
InChIInChI=1S/C16H16INO2/c17-15-9-5-4-8-14(15)16(20)18-13(11-19)10-12-6-2-1-3-7-12/h1-9,13,19H,10-11H2,(H,18,20)
InChIKeyHVZNNUYJKVVQOQ-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-hydroxy-3-phenylpropan-2-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

N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide
CID 65312404
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
2-benzoyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 21190791
2,3-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861388
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 2324672
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861450
2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860587
3-bromo-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 102673913
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide
CID 107861091

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide (CID 6709695) is N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide is O=C(NC(CO)Cc1ccccc1)c1ccccc1I.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide?
The InChIKey is HVZNNUYJKVVQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2/c17-15-9-5-4-8-14(15)16(20)18-13(11-19)10-12-6-2-1-3-7-12/h1-9,13,19H,10-11H2,(H,18,20).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide has a molecular weight of 381.21 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide is sourced from PubChem (CID 6709695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).