4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C20H17F3N2O2 — CID 121470833

IUPAC4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC1=C(Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)CCC1=O
InChIInChI=1S/C20H17F3N2O2/c1-12-17(9-10-18(12)26)24-15-7-5-13(6-8-15)19(27)25-16-4-2-3-14(11-16)20(21,22)23/h2-8,11,24H,9-10H2,1H3,(H,25,27)
InChIKeyGPDBRPIICCXXDE-UHFFFAOYSA-N
MW374.36 g/mol
LogP5.01
Rot. Bonds4

About 4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 121470833) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID121470833
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC1=C(Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)CCC1=O
InChIInChI=1S/C20H17F3N2O2/c1-12-17(9-10-18(12)26)24-15-7-5-13(6-8-15)19(27)25-16-4-2-3-14(11-16)20(21,22)23/h2-8,11,24H,9-10H2,1H3,(H,25,27)
InChIKeyGPDBRPIICCXXDE-UHFFFAOYSA-N
XLogP5.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.36
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
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4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
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4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 51191508
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160
4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
N-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996594
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 121470833) is 4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is CC1=C(Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)CCC1=O.
What is the InChIKey of 4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GPDBRPIICCXXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-12-17(9-10-18(12)26)24-15-7-5-13(6-8-15)19(27)25-16-4-2-3-14(11-16)20(21,22)23/h2-8,11,24H,9-10H2,1H3,(H,25,27).
What are the key properties of 4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 374.36 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 121470833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).