1-fluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide

C16H20FNO2 — CID 174520333

IUPAC1-fluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide
SMILESO=CC[C@H](NC(=O)C1(F)CCCCC1)c1ccccc1
InChIInChI=1S/C16H20FNO2/c17-16(10-5-2-6-11-16)15(20)18-14(9-12-19)13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,18,20)/t14-/m0/s1
InChIKeyYLDRYZXQSBAIFK-AWEZNQCLSA-N
MW277.34 g/mol
LogP3.11
Rot. Bonds5

About 1-fluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide

1-fluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide (PubChem CID 174520333) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-fluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide
PubChem CID174520333
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name1-fluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide
SMILESO=CC[C@H](NC(=O)C1(F)CCCCC1)c1ccccc1
InChIInChI=1S/C16H20FNO2/c17-16(10-5-2-6-11-16)15(20)18-14(9-12-19)13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,18,20)/t14-/m0/s1
InChIKeyYLDRYZXQSBAIFK-AWEZNQCLSA-N
XLogP3.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-fluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide (CID 174520333) is 1-fluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide is O=CC[C@H](NC(=O)C1(F)CCCCC1)c1ccccc1.
What is the InChIKey of 1-fluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide?
The InChIKey is YLDRYZXQSBAIFK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-16(10-5-2-6-11-16)15(20)18-14(9-12-19)13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,18,20)/t14-/m0/s1.
What are the key properties of 1-fluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide?
1-fluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide has a molecular weight of 277.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 174520333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).