3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide

C18H18INO2 — CID 173354070

IUPAC3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
SMILESO=C[C@@H](CCCc1ccccc1)NC(=O)c1cccc(I)c1
InChIInChI=1S/C18H18INO2/c19-16-10-5-9-15(12-16)18(22)20-17(13-21)11-4-8-14-6-2-1-3-7-14/h1-3,5-7,9-10,12-13,17H,4,8,11H2,(H,20,22)/t17-/m1/s1
InChIKeyJQEVXQRKVGXWDU-QGZVFWFLSA-N
MW407.25 g/mol
LogP3.61
Rot. Bonds7

About 3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide

3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide (PubChem CID 173354070) has the molecular formula C18H18INO2 and a molecular weight of 407.25 g/mol. Its IUPAC name is 3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
PubChem CID173354070
Molecular FormulaC18H18INO2
Molecular Weight407.25 g/mol
Exact Mass407.04
IUPAC Name3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
SMILESO=C[C@@H](CCCc1ccccc1)NC(=O)c1cccc(I)c1
InChIInChI=1S/C18H18INO2/c19-16-10-5-9-15(12-16)18(22)20-17(13-21)11-4-8-14-6-2-1-3-7-14/h1-3,5-7,9-10,12-13,17H,4,8,11H2,(H,20,22)/t17-/m1/s1
InChIKeyJQEVXQRKVGXWDU-QGZVFWFLSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 57228537
4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 173354336
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide
CID 107861091
N-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide
CID 173354341
N-[(1R)-1-cyano-2-phenylethyl]-3-iodobenzamide
CID 97081819
methyl (2S)-2-[(3-iodobenzoyl)amino]-3-phenylpropanoate
CID 8010917
(2S)-4-hydroxy-2-[(3-iodobenzoyl)amino]butanoic acid
CID 107821988
3-iodo-N-pentan-2-ylbenzamide
CID 2886291
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
3-iodobenzoate;3-phenylpropylazanium
CID 139060545
N-(4-chlorobutan-2-yl)-3-iodobenzamide
CID 83187759
N-[4-(4-iodophenyl)butan-2-yl]benzamide
CID 132547584

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide?
The IUPAC name of 3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide (CID 173354070) is 3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide.
What is the SMILES notation for 3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide?
The canonical SMILES for 3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide is O=C[C@@H](CCCc1ccccc1)NC(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide?
The InChIKey is JQEVXQRKVGXWDU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18INO2/c19-16-10-5-9-15(12-16)18(22)20-17(13-21)11-4-8-14-6-2-1-3-7-14/h1-3,5-7,9-10,12-13,17H,4,8,11H2,(H,20,22)/t17-/m1/s1.
What are the key properties of 3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide?
3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide has a molecular weight of 407.25 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide is sourced from PubChem (CID 173354070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).