4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide

C16H21F2NO2 — CID 18758299

IUPAC4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide
SMILESO=C(NC(CCO)c1ccccc1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H21F2NO2/c17-16(18)9-6-13(7-10-16)15(21)19-14(8-11-20)12-4-2-1-3-5-12/h1-5,13-14,20H,6-11H2,(H,19,21)
InChIKeyOOIJZFMUKIGIRX-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.05
Rot. Bonds5

About 4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide

4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide (PubChem CID 18758299) has the molecular formula C16H21F2NO2 and a molecular weight of 297.34 g/mol. Its IUPAC name is 4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide
PubChem CID18758299
Molecular FormulaC16H21F2NO2
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC Name4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide
SMILESO=C(NC(CCO)c1ccccc1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H21F2NO2/c17-16(18)9-6-13(7-10-16)15(21)19-14(8-11-20)12-4-2-1-3-5-12/h1-5,13-14,20H,6-11H2,(H,19,21)
InChIKeyOOIJZFMUKIGIRX-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide (CID 18758299) is 4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide is O=C(NC(CCO)c1ccccc1)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide?
The InChIKey is OOIJZFMUKIGIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c17-16(18)9-6-13(7-10-16)15(21)19-14(8-11-20)12-4-2-1-3-5-12/h1-5,13-14,20H,6-11H2,(H,19,21).
What are the key properties of 4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide?
4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide has a molecular weight of 297.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 18758299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).