N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide

C24H17F3N2O3 — CID 55785407

IUPACN-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C24H17F3N2O3/c1-13-6-7-15(22(31)28-12-24(25,26)27)11-20(13)29-23(32)14-8-9-17-16-4-2-3-5-18(16)21(30)19(17)10-14/h2-11H,12H2,1H3,(H,28,31)(H,29,32)
InChIKeyCKGGYWQDIWWNRB-UHFFFAOYSA-N
MW438.41 g/mol
LogP4.75
Rot. Bonds4

About N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide

N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide (PubChem CID 55785407) has the molecular formula C24H17F3N2O3 and a molecular weight of 438.41 g/mol. Its IUPAC name is N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide
PubChem CID55785407
Molecular FormulaC24H17F3N2O3
Molecular Weight438.41 g/mol
Exact Mass438.12
IUPAC NameN-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C24H17F3N2O3/c1-13-6-7-15(22(31)28-12-24(25,26)27)11-20(13)29-23(32)14-8-9-17-16-4-2-3-5-18(16)21(30)19(17)10-14/h2-11H,12H2,1H3,(H,28,31)(H,29,32)
InChIKeyCKGGYWQDIWWNRB-UHFFFAOYSA-N
XLogP4.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-amino-3-phenylpropanoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119949954
3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55784735
3-[(4-butoxybenzoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55785183
3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 71685503
3-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55784676
2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 87025355
N-(2-fluorophenyl)-9-oxofluorene-2-carboxamide
CID 42064694
5-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55785215
N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55972511
N-ethyl-9,10-dioxoanthracene-2-carboxamide
CID 102014872
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide
CID 42060741
2-methyl-3-[methyl-[[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]carbamoyl]amino]propanoic acid
CID 122076338

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide?
The IUPAC name of N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide (CID 55785407) is N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide is Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide?
The InChIKey is CKGGYWQDIWWNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O3/c1-13-6-7-15(22(31)28-12-24(25,26)27)11-20(13)29-23(32)14-8-9-17-16-4-2-3-5-18(16)21(30)19(17)10-14/h2-11H,12H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide?
N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide is sourced from PubChem (CID 55785407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).