3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide

C16H21F2NO2 — CID 65119123

IUPAC3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
SMILESCC1(C)CCC(O)(CNC(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H21F2NO2/c1-15(2)5-7-16(21,8-6-15)10-19-14(20)11-3-4-12(17)13(18)9-11/h3-4,9,21H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyRNQBAIYUGGHSOG-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.03
Rot. Bonds3

About 3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide

3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide (PubChem CID 65119123) has the molecular formula C16H21F2NO2 and a molecular weight of 297.34 g/mol. Its IUPAC name is 3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
PubChem CID65119123
Molecular FormulaC16H21F2NO2
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC Name3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
SMILESCC1(C)CCC(O)(CNC(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H21F2NO2/c1-15(2)5-7-16(21,8-6-15)10-19-14(20)11-3-4-12(17)13(18)9-11/h3-4,9,21H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyRNQBAIYUGGHSOG-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]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

4-amino-3-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65118030
3-bromo-4-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 107952526
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119615
3-amino-4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117591
3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide
CID 111660763
3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide
CID 97042590
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide
CID 65117358
4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 102851764
5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 104786143
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 65119087
4-bromo-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119415
4-amino-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117447

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide (CID 65119123) is 3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide is CC1(C)CCC(O)(CNC(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
The InChIKey is RNQBAIYUGGHSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-15(2)5-7-16(21,8-6-15)10-19-14(20)11-3-4-12(17)13(18)9-11/h3-4,9,21H,5-8,10H2,1-2H3,(H,19,20).
What are the key properties of 3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide has a molecular weight of 297.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 65119123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).