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

C16H16INO2 — CID 54110010

IUPACN-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide
SMILESCC(NC(=O)c1ccccc1I)C(O)c1ccccc1
InChIInChI=1S/C16H16INO2/c1-11(15(19)12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)17/h2-11,15,19H,1H3,(H,18,20)
InChIKeyNGKUIJCENZRINA-UHFFFAOYSA-N
MW381.21 g/mol
LogP3.14
Rot. Bonds4

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

N-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide (PubChem CID 54110010) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is N-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide
PubChem CID54110010
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC NameN-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide
SMILESCC(NC(=O)c1ccccc1I)C(O)c1ccccc1
InChIInChI=1S/C16H16INO2/c1-11(15(19)12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)17/h2-11,15,19H,1H3,(H,18,20)
InChIKeyNGKUIJCENZRINA-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzhydryl-2-iodobenzamide
CID 2255693
N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide
CID 103772803
2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide
CID 2981930
N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 4122342
N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide
CID 43297726
4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
CID 154861680
5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
CID 58185158
N-butan-2-yl-2-iodobenzamide
CID 3344108
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242817
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242814
N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide
CID 42906427
N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide
CID 55594145

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide?
The IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide (CID 54110010) is N-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide.
What is the SMILES notation for N-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide?
The canonical SMILES for N-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide is CC(NC(=O)c1ccccc1I)C(O)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide?
The InChIKey is NGKUIJCENZRINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2/c1-11(15(19)12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)17/h2-11,15,19H,1H3,(H,18,20).
What are the key properties of N-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide?
N-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide has a molecular weight of 381.21 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide is sourced from PubChem (CID 54110010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).