N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide

C16H16INO2 — CID 107861091

IUPACN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1cccc(I)c1
InChIInChI=1S/C16H16INO2/c17-14-8-4-7-13(10-14)16(20)18-15(11-19)9-12-5-2-1-3-6-12/h1-8,10,15,19H,9,11H2,(H,18,20)/t15-/m1/s1
InChIKeyIWDVIGIKXYHEEK-OAHLLOKOSA-N
MW381.21 g/mol
LogP2.62
Rot. Bonds5

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

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide (PubChem CID 107861091) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide
PubChem CID107861091
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1cccc(I)c1
InChIInChI=1S/C16H16INO2/c17-14-8-4-7-13(10-14)16(20)18-15(11-19)9-12-5-2-1-3-6-12/h1-8,10,15,19H,9,11H2,(H,18,20)/t15-/m1/s1
InChIKeyIWDVIGIKXYHEEK-OAHLLOKOSA-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'}

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Related Compounds

1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 39086919
N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide
CID 104981700
3,4-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102103629
N-[(1R)-1-cyano-2-phenylethyl]-3-iodobenzamide
CID 97081819
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
methyl (2S)-2-[(3-iodobenzoyl)amino]-3-phenylpropanoate
CID 8010917
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
CID 6709695
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide (CID 107861091) is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide is O=C(N[C@@H](CO)Cc1ccccc1)c1cccc(I)c1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide?
The InChIKey is IWDVIGIKXYHEEK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16INO2/c17-14-8-4-7-13(10-14)16(20)18-15(11-19)9-12-5-2-1-3-6-12/h1-8,10,15,19H,9,11H2,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide?
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-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-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide is sourced from PubChem (CID 107861091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).