3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide

C24H28F2N2O2 — CID 7427818

IUPAC3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
SMILESCC1(C)C[C@H](NC(=O)c2cccc(F)c2)C[C@](C)(CNC(=O)c2cccc(F)c2)C1
InChIInChI=1S/C24H28F2N2O2/c1-23(2)12-20(28-22(30)17-7-5-9-19(26)11-17)13-24(3,14-23)15-27-21(29)16-6-4-8-18(25)10-16/h4-11,20H,12-15H2,1-3H3,(H,27,29)(H,28,30)/t20-,24-/m0/s1
InChIKeyLDIXUERNYDPSEP-RDPSFJRHSA-N
MW414.50 g/mol
LogP4.71
Rot. Bonds5

About 3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide

3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide (PubChem CID 7427818) has the molecular formula C24H28F2N2O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
PubChem CID7427818
Molecular FormulaC24H28F2N2O2
Molecular Weight414.50 g/mol
Exact Mass414.21
IUPAC Name3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
SMILESCC1(C)C[C@H](NC(=O)c2cccc(F)c2)C[C@](C)(CNC(=O)c2cccc(F)c2)C1
InChIInChI=1S/C24H28F2N2O2/c1-23(2)12-20(28-22(30)17-7-5-9-19(26)11-17)13-24(3,14-23)15-27-21(29)16-6-4-8-18(25)10-16/h4-11,20H,12-15H2,1-3H3,(H,27,29)(H,28,30)/t20-,24-/m0/s1
InChIKeyLDIXUERNYDPSEP-RDPSFJRHSA-N
XLogP4.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide with MolForge

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Related Compounds

N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide
CID 4142011
N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 3996775
2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 4676998
3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide
CID 4050363
phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate
CID 121431628
naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate
CID 67179801
N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide
CID 1009025
3-chloro-N-[[(1R,5R)-5-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 98389190
2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide
CID 25387928
5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide
CID 40601347
N-[4-(ethylamino)cyclohexyl]-3-fluorobenzamide
CID 43653350
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide (CID 7427818) is 3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide is CC1(C)C[C@H](NC(=O)c2cccc(F)c2)C[C@](C)(CNC(=O)c2cccc(F)c2)C1.
What is the InChIKey of 3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide?
The InChIKey is LDIXUERNYDPSEP-RDPSFJRHSA-N. The full InChI is InChI=1S/C24H28F2N2O2/c1-23(2)12-20(28-22(30)17-7-5-9-19(26)11-17)13-24(3,14-23)15-27-21(29)16-6-4-8-18(25)10-16/h4-11,20H,12-15H2,1-3H3,(H,27,29)(H,28,30)/t20-,24-/m0/s1.
What are the key properties of 3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide?
3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide has a molecular weight of 414.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide is sourced from PubChem (CID 7427818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).