4-fluoro-N-[4-[1-[4-[(4-fluorobenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]benzamide

C36H36F2N2O2 — CID 102377297

IUPAC4-fluoro-N-[4-[1-[4-[(4-fluorobenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]benzamide
SMILESCc1cc(C2(c3cc(C)c(NC(=O)c4ccc(F)cc4)c(C)c3)CCCCC2)cc(C)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C36H36F2N2O2/c1-22-18-28(19-23(2)32(22)39-34(41)26-8-12-30(37)13-9-26)36(16-6-5-7-17-36)29-20-24(3)33(25(4)21-29)40-35(42)27-10-14-31(38)15-11-27/h8-15,18-21H,5-7,16-17H2,1-4H3,(H,39,41)(H,40,42)
InChIKeyAQPZDJHEIUULBU-UHFFFAOYSA-N
MW566.69 g/mol
LogP8.95
Rot. Bonds6

About 4-fluoro-N-[4-[1-[4-[(4-fluorobenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]benzamide

4-fluoro-N-[4-[1-[4-[(4-fluorobenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]benzamide (PubChem CID 102377297) has the molecular formula C36H36F2N2O2 and a molecular weight of 566.69 g/mol. Its IUPAC name is 4-fluoro-N-[4-[1-[4-[(4-fluorobenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[1-[4-[(4-fluorobenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]benzamide
PubChem CID102377297
Molecular FormulaC36H36F2N2O2
Molecular Weight566.69 g/mol
Exact Mass566.27
IUPAC Name4-fluoro-N-[4-[1-[4-[(4-fluorobenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]benzamide
SMILESCc1cc(C2(c3cc(C)c(NC(=O)c4ccc(F)cc4)c(C)c3)CCCCC2)cc(C)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C36H36F2N2O2/c1-22-18-28(19-23(2)32(22)39-34(41)26-8-12-30(37)13-9-26)36(16-6-5-7-17-36)29-20-24(3)33(25(4)21-29)40-35(42)27-10-14-31(38)15-11-27/h8-15,18-21H,5-7,16-17H2,1-4H3,(H,39,41)(H,40,42)
InChIKeyAQPZDJHEIUULBU-UHFFFAOYSA-N
XLogP8.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.69
LogP ≤ 58.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-[4-[1-[4-[(4-fluorobenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]benzamide with MolForge

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Related Compounds

3-[[4-[1-[4-[(4-tert-butylbenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]carbamoyl]benzoic acid
CID 101075473
N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide
CID 50881395
5-N,8-N-bis[4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenyl]-1,12-dimethylbenzo[c]phenanthrene-5,8-dicarboxamide
CID 12964572
4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide
CID 21368177
N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide
CID 60628486
benzyl N-[4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenyl]carbamate
CID 10813700
3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 4815673
4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide
CID 50880717
4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol
CID 154629594
N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide
CID 107573361
N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide
CID 50880342
N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide
CID 113091009

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[1-[4-[(4-fluorobenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[1-[4-[(4-fluorobenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]benzamide (CID 102377297) is 4-fluoro-N-[4-[1-[4-[(4-fluorobenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[1-[4-[(4-fluorobenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[1-[4-[(4-fluorobenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]benzamide is Cc1cc(C2(c3cc(C)c(NC(=O)c4ccc(F)cc4)c(C)c3)CCCCC2)cc(C)c1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[1-[4-[(4-fluorobenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]benzamide?
The InChIKey is AQPZDJHEIUULBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36F2N2O2/c1-22-18-28(19-23(2)32(22)39-34(41)26-8-12-30(37)13-9-26)36(16-6-5-7-17-36)29-20-24(3)33(25(4)21-29)40-35(42)27-10-14-31(38)15-11-27/h8-15,18-21H,5-7,16-17H2,1-4H3,(H,39,41)(H,40,42).
What are the key properties of 4-fluoro-N-[4-[1-[4-[(4-fluorobenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]benzamide?
4-fluoro-N-[4-[1-[4-[(4-fluorobenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]benzamide has a molecular weight of 566.69 g/mol, XLogP of 8.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[1-[4-[(4-fluorobenzoyl)amino]-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenyl]benzamide is sourced from PubChem (CID 102377297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).