N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide

C19H18FNO — CID 134946119

IUPACN-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide
SMILESO=C(/N=C1\CCCC[C@]1(F)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18FNO/c20-19(16-11-5-2-6-12-16)14-8-7-13-17(19)21-18(22)15-9-3-1-4-10-15/h1-6,9-12H,7-8,13-14H2/b21-17+/t19-/m0/s1
InChIKeyWZBPBSRDDJWKCZ-MXTRNAPSSA-N
MW295.36 g/mol
LogP4.71
Rot. Bonds2

About N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide

N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide (PubChem CID 134946119) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide
PubChem CID134946119
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC NameN-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide
SMILESO=C(/N=C1\CCCC[C@]1(F)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18FNO/c20-19(16-11-5-2-6-12-16)14-8-7-13-17(19)21-18(22)15-9-3-1-4-10-15/h1-6,9-12H,7-8,13-14H2/b21-17+/t19-/m0/s1
InChIKeyWZBPBSRDDJWKCZ-MXTRNAPSSA-N
XLogP4.71
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide 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 N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide?
The IUPAC name of N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide (CID 134946119) is N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide.
What is the SMILES notation for N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide?
The canonical SMILES for N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide is O=C(/N=C1\CCCC[C@]1(F)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide?
The InChIKey is WZBPBSRDDJWKCZ-MXTRNAPSSA-N. The full InChI is InChI=1S/C19H18FNO/c20-19(16-11-5-2-6-12-16)14-8-7-13-17(19)21-18(22)15-9-3-1-4-10-15/h1-6,9-12H,7-8,13-14H2/b21-17+/t19-/m0/s1.
What are the key properties of N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide?
N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide has a molecular weight of 295.36 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide is sourced from PubChem (CID 134946119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).