methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate

C20H19F3N2O4 — CID 26356542

IUPACmethyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H19F3N2O4/c1-3-25(18(27)13-8-10-14(11-9-13)19(28)29-2)12-17(26)24-16-7-5-4-6-15(16)20(21,22)23/h4-11H,3,12H2,1-2H3,(H,24,26)
InChIKeyJJIZJYAOGAQTHH-UHFFFAOYSA-N
MW408.38 g/mol
LogP3.59
Rot. Bonds6

About methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate

methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate (PubChem CID 26356542) has the molecular formula C20H19F3N2O4 and a molecular weight of 408.38 g/mol. Its IUPAC name is methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate
PubChem CID26356542
Molecular FormulaC20H19F3N2O4
Molecular Weight408.38 g/mol
Exact Mass408.13
IUPAC Namemethyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H19F3N2O4/c1-3-25(18(27)13-8-10-14(11-9-13)19(28)29-2)12-17(26)24-16-7-5-4-6-15(16)20(21,22)23/h4-11H,3,12H2,1-2H3,(H,24,26)
InChIKeyJJIZJYAOGAQTHH-UHFFFAOYSA-N
XLogP3.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate with MolForge

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Related Compounds

N,4-diethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 9095226
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
6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
CID 26357037
4-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356507
3,4,5-triethoxy-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356957
4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356858
N-ethyl-2,4,5-trimethoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26357174
N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 51103434
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
4-(diethylamino)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 9431728
2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18552332

Frequently Asked Questions

What is the IUPAC name of methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate (CID 26356542) is methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate?
The InChIKey is JJIZJYAOGAQTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O4/c1-3-25(18(27)13-8-10-14(11-9-13)19(28)29-2)12-17(26)24-16-7-5-4-6-15(16)20(21,22)23/h4-11H,3,12H2,1-2H3,(H,24,26).
What are the key properties of methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate?
methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate has a molecular weight of 408.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate is sourced from PubChem (CID 26356542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).