3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide

C21H23F2NO — CID 58276647

IUPAC3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(CCC3CCC(F)(F)CC3)cc2)c1
InChIInChI=1S/C21H23F2NO/c22-21(23)12-10-16(11-13-21)5-4-15-6-8-17(9-7-15)18-2-1-3-19(14-18)20(24)25/h1-3,6-9,14,16H,4-5,10-13H2,(H2,24,25)
InChIKeyOYYQLNPMZYZFIU-UHFFFAOYSA-N
MW343.42 g/mol
LogP5.21
Rot. Bonds5

About 3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide

3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide (PubChem CID 58276647) has the molecular formula C21H23F2NO and a molecular weight of 343.42 g/mol. Its IUPAC name is 3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide
PubChem CID58276647
Molecular FormulaC21H23F2NO
Molecular Weight343.42 g/mol
Exact Mass343.17
IUPAC Name3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(CCC3CCC(F)(F)CC3)cc2)c1
InChIInChI=1S/C21H23F2NO/c22-21(23)12-10-16(11-13-21)5-4-15-6-8-17(9-7-15)18-2-1-3-19(14-18)20(24)25/h1-3,6-9,14,16H,4-5,10-13H2,(H2,24,25)
InChIKeyOYYQLNPMZYZFIU-UHFFFAOYSA-N
XLogP5.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.42
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 123297281
3-[4-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]benzamide
CID 58276428
3-[5-[2-(4,4-dimethylcyclohexyl)ethyl]-2-pyridinyl]benzamide;2,2,2-trifluoroacetic acid
CID 123610609
3-[4-[2-(benzylamino)ethyl]phenyl]benzamide
CID 58276622
3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]-5-methylbenzamide
CID 58276456
3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide
CID 59545342
3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid
CID 123207173
1-fluoro-3-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 18720800
4-(3-carbamoylphenyl)benzoate
CID 86307207
3-[3-[2-(cyclohexylmethylamino)ethyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 68603863
3-[4-(4-phenylbutoxy)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 123258613
3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide
CID 25213074

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide?
The IUPAC name of 3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide (CID 58276647) is 3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide.
What is the SMILES notation for 3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide?
The canonical SMILES for 3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide is NC(=O)c1cccc(-c2ccc(CCC3CCC(F)(F)CC3)cc2)c1.
What is the InChIKey of 3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide?
The InChIKey is OYYQLNPMZYZFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO/c22-21(23)12-10-16(11-13-21)5-4-15-6-8-17(9-7-15)18-2-1-3-19(14-18)20(24)25/h1-3,6-9,14,16H,4-5,10-13H2,(H2,24,25).
What are the key properties of 3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide?
3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide has a molecular weight of 343.42 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide is sourced from PubChem (CID 58276647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).