4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide

C24H21F3N2O2 — CID 28639338

IUPAC4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C24H21F3N2O2/c1-15(2)16-6-8-17(9-7-16)22(30)28-20-12-10-18(11-13-20)23(31)29-21-5-3-4-19(14-21)24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31)
InChIKeySEAQEGGRYQKQBG-UHFFFAOYSA-N
MW426.44 g/mol
LogP6.33
Rot. Bonds5

About 4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide

4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide (PubChem CID 28639338) has the molecular formula C24H21F3N2O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is 4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
PubChem CID28639338
Molecular FormulaC24H21F3N2O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC Name4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C24H21F3N2O2/c1-15(2)16-6-8-17(9-7-16)22(30)28-20-12-10-18(11-13-20)23(31)29-21-5-3-4-19(14-21)24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31)
InChIKeySEAQEGGRYQKQBG-UHFFFAOYSA-N
XLogP6.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea
CID 159194263
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049826
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
4-[2-(2,6-dimethylphenoxy)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43887249

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The IUPAC name of 4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide (CID 28639338) is 4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for 4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide is CC(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The InChIKey is SEAQEGGRYQKQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O2/c1-15(2)16-6-8-17(9-7-16)22(30)28-20-12-10-18(11-13-20)23(31)29-21-5-3-4-19(14-21)24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide has a molecular weight of 426.44 g/mol, XLogP of 6.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 28639338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).