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

C17H14F3N3O4 — CID 2527951

IUPAC[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-(carbamoylamino)benzoate
SMILESNC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O4/c18-17(19,20)12-3-1-2-4-13(12)23-14(24)9-27-15(25)10-5-7-11(8-6-10)22-16(21)26/h1-8H,9H2,(H,23,24)(H3,21,22,26)
InChIKeyGNIDQABCAAZZBF-UHFFFAOYSA-N
MW381.31 g/mol
LogP2.99
Rot. Bonds5

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

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-(carbamoylamino)benzoate (PubChem CID 2527951) has the molecular formula C17H14F3N3O4 and a molecular weight of 381.31 g/mol. Its IUPAC name is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-(carbamoylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-(carbamoylamino)benzoate
PubChem CID2527951
Molecular FormulaC17H14F3N3O4
Molecular Weight381.31 g/mol
Exact Mass381.09
IUPAC Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-(carbamoylamino)benzoate
SMILESNC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O4/c18-17(19,20)12-3-1-2-4-13(12)23-14(24)9-27-15(25)10-5-7-11(8-6-10)22-16(21)26/h1-8H,9H2,(H,23,24)(H3,21,22,26)
InChIKeyGNIDQABCAAZZBF-UHFFFAOYSA-N
XLogP2.99
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] benzoate
CID 2517299
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-(trifluoromethyl)benzoate
CID 7860144
[2-(carbamoylamino)-2-oxoethyl] 3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzoate
CID 3938129
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate
CID 2527993
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 4-(carbamoylamino)benzoate
CID 2527840
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,5-dimethylfuran-3-carboxylate
CID 4148887
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate
CID 7838156
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-butoxy-3-ethoxybenzoate
CID 29242975
[2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2378879
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,5-dimethylbenzoate
CID 2520046
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 1,3-dioxo-2-[(2S)-1-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]propan-2-yl]isoindole-5-carboxylate
CID 99656995
[2-oxo-2-[4-(N-propan-2-ylanilino)anilino]ethyl] 3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzoate
CID 4304211

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-(carbamoylamino)benzoate?
The IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-(carbamoylamino)benzoate (CID 2527951) is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-(carbamoylamino)benzoate.
What is the SMILES notation for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-(carbamoylamino)benzoate?
The canonical SMILES for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-(carbamoylamino)benzoate is NC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-(carbamoylamino)benzoate?
The InChIKey is GNIDQABCAAZZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O4/c18-17(19,20)12-3-1-2-4-13(12)23-14(24)9-27-15(25)10-5-7-11(8-6-10)22-16(21)26/h1-8H,9H2,(H,23,24)(H3,21,22,26).
What are the key properties of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-(carbamoylamino)benzoate?
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-(carbamoylamino)benzoate has a molecular weight of 381.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-(carbamoylamino)benzoate is sourced from PubChem (CID 2527951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).