4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide

C20H24FNO — CID 126020160

IUPAC4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide
SMILESC[C@@H]1CCC(C)(C)C[C@H]1NC(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C20H24FNO/c1-13-10-11-20(2,3)12-18(13)22-19(23)16-8-9-17(21)15-7-5-4-6-14(15)16/h4-9,13,18H,10-12H2,1-3H3,(H,22,23)/t13-,18-/m1/s1
InChIKeyBLHHODDDSUBJSG-FZKQIMNGSA-N
MW313.42 g/mol
LogP4.92
Rot. Bonds2

About 4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide

4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide (PubChem CID 126020160) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide
PubChem CID126020160
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide
SMILESC[C@@H]1CCC(C)(C)C[C@H]1NC(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C20H24FNO/c1-13-10-11-20(2,3)12-18(13)22-19(23)16-8-9-17(21)15-7-5-4-6-14(15)16/h4-9,13,18H,10-12H2,1-3H3,(H,22,23)/t13-,18-/m1/s1
InChIKeyBLHHODDDSUBJSG-FZKQIMNGSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-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

Related Compounds

4-fluoro-N-[(1S,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide
CID 126020152
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
N'-acetyl-4-fluoronaphthalene-1-carbohydrazide
CID 114088219
4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide
CID 114088240
N-(2,3-dimethylcyclopentyl)-2-fluorobenzamide
CID 64907181
N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide
CID 114550457
2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
CID 115880901
1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide
CID 106771845
N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide
CID 113345445
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
2,4-difluoro-N-[(3R,4R)-4-methylpiperidin-3-yl]benzamide
CID 95401781
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide?
The IUPAC name of 4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide (CID 126020160) is 4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide is C[C@@H]1CCC(C)(C)C[C@H]1NC(=O)c1ccc(F)c2ccccc12.
What is the InChIKey of 4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide?
The InChIKey is BLHHODDDSUBJSG-FZKQIMNGSA-N. The full InChI is InChI=1S/C20H24FNO/c1-13-10-11-20(2,3)12-18(13)22-19(23)16-8-9-17(21)15-7-5-4-6-14(15)16/h4-9,13,18H,10-12H2,1-3H3,(H,22,23)/t13-,18-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide?
4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide is sourced from PubChem (CID 126020160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).