4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide

C23H23F3N4O2 — CID 26356858

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C23H23F3N4O2/c1-4-29(14-21(31)27-20-8-6-5-7-19(20)23(24,25)26)22(32)17-9-11-18(12-10-17)30-16(3)13-15(2)28-30/h5-13H,4,14H2,1-3H3,(H,27,31)
InChIKeyNQOVJJPEJJFRQW-UHFFFAOYSA-N
MW444.46 g/mol
LogP4.61
Rot. Bonds6

About 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide (PubChem CID 26356858) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
PubChem CID26356858
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C23H23F3N4O2/c1-4-29(14-21(31)27-20-8-6-5-7-19(20)23(24,25)26)22(32)17-9-11-18(12-10-17)30-16(3)13-15(2)28-30/h5-13H,4,14H2,1-3H3,(H,27,31)
InChIKeyNQOVJJPEJJFRQW-UHFFFAOYSA-N
XLogP4.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 55754631
N,4-diethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 9095226
methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate
CID 26356542
2-[ethyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55411337
6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
CID 26357037
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]thiophene-3-carboxamide
CID 18114443
1-(4-chlorophenyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide
CID 47046726
3,4,5-triethoxy-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356957
4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 2604003
4-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356507
N-ethyl-3,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide
CID 26356736

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide (CID 26356858) is 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2nc(C)cc2C)cc1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The InChIKey is NQOVJJPEJJFRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-4-29(14-21(31)27-20-8-6-5-7-19(20)23(24,25)26)22(32)17-9-11-18(12-10-17)30-16(3)13-15(2)28-30/h5-13H,4,14H2,1-3H3,(H,27,31).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide has a molecular weight of 444.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 26356858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).