N-[3-[[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide

C26H23F3N2O2 — CID 59202070

IUPACN-[3-[[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide
SMILESC=C(c1cc(C)c(NC(=O)c2cccc(NC(=O)c3ccccc3C)c2)c(C)c1)C(F)(F)F
InChIInChI=1S/C26H23F3N2O2/c1-15-8-5-6-11-22(15)25(33)30-21-10-7-9-19(14-21)24(32)31-23-16(2)12-20(13-17(23)3)18(4)26(27,28)29/h5-14H,4H2,1-3H3,(H,30,33)(H,31,32)
InChIKeyFYJHXNSFRZIXNW-UHFFFAOYSA-N
MW452.48 g/mol
LogP6.69
Rot. Bonds5

About N-[3-[[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide

N-[3-[[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 59202070) has the molecular formula C26H23F3N2O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is N-[3-[[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide
PubChem CID59202070
Molecular FormulaC26H23F3N2O2
Molecular Weight452.48 g/mol
Exact Mass452.17
IUPAC NameN-[3-[[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide
SMILESC=C(c1cc(C)c(NC(=O)c2cccc(NC(=O)c3ccccc3C)c2)c(C)c1)C(F)(F)F
InChIInChI=1S/C26H23F3N2O2/c1-15-8-5-6-11-22(15)25(33)30-21-10-7-9-19(14-21)24(32)31-23-16(2)12-20(13-17(23)3)18(4)26(27,28)29/h5-14H,4H2,1-3H3,(H,30,33)(H,31,32)
InChIKeyFYJHXNSFRZIXNW-UHFFFAOYSA-N
XLogP6.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.48
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-[[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide with MolForge

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Related Compounds

3-[(4-cyanobenzoyl)amino]-N-[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]benzamide
CID 68711475
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide
CID 846043
2-fluoro-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 58399658
3-[(3-fluorobenzoyl)amino]-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide
CID 42641226
2-[3-[[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]phenyl]carbamoyl]-2-methylphenyl]propanoic acid
CID 123916812
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
CID 42427396
2-chloro-N-[3-[[2,6-dimethyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 87298684
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
[1,1,1,3,3,3-hexafluoro-2-[4-[[3-[(4-fluorobenzoyl)amino]benzoyl]amino]-3,5-dimethylphenyl]propan-2-yl] methanesulfonate
CID 87361726
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
[2-[4-[[3-[(2,6-difluorobenzoyl)amino]benzoyl]amino]-3,5-dimethylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] methanesulfonate
CID 87361800

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[3-[[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide (CID 59202070) is N-[3-[[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide is C=C(c1cc(C)c(NC(=O)c2cccc(NC(=O)c3ccccc3C)c2)c(C)c1)C(F)(F)F.
What is the InChIKey of N-[3-[[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is FYJHXNSFRZIXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O2/c1-15-8-5-6-11-22(15)25(33)30-21-10-7-9-19(14-21)24(32)31-23-16(2)12-20(13-17(23)3)18(4)26(27,28)29/h5-14H,4H2,1-3H3,(H,30,33)(H,31,32).
What are the key properties of N-[3-[[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide?
N-[3-[[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide has a molecular weight of 452.48 g/mol, XLogP of 6.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2,6-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 59202070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).