4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide

C18H18FNO2 — CID 173354336

IUPAC4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
SMILESO=C[C@@H](CCCc1ccccc1)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO2/c19-16-11-9-15(10-12-16)18(22)20-17(13-21)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-13,17H,4,7-8H2,(H,20,22)/t17-/m1/s1
InChIKeyHSFZRMHEQZQQAP-QGZVFWFLSA-N
MW299.35 g/mol
LogP3.15
Rot. Bonds7

About 4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide

4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide (PubChem CID 173354336) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
PubChem CID173354336
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
SMILESO=C[C@@H](CCCc1ccccc1)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO2/c19-16-11-9-15(10-12-16)18(22)20-17(13-21)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-13,17H,4,7-8H2,(H,20,22)/t17-/m1/s1
InChIKeyHSFZRMHEQZQQAP-QGZVFWFLSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 57228537
3-iodo-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 173354070
N-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide
CID 173354341
4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666681
4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide
CID 166317910
N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 134998602
N-[(2S)-1-[[(1E,2S)-1-(acetylhydrazinylidene)-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide
CID 44529415
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-fluorobenzamide
CID 150964230
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 19062213
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate
CID 6735143

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide (CID 173354336) is 4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide is O=C[C@@H](CCCc1ccccc1)NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide?
The InChIKey is HSFZRMHEQZQQAP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-16-11-9-15(10-12-16)18(22)20-17(13-21)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-13,17H,4,7-8H2,(H,20,22)/t17-/m1/s1.
What are the key properties of 4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide?
4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide has a molecular weight of 299.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide is sourced from PubChem (CID 173354336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).