4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate

C18H14F3N2O4- — CID 2192276

IUPAC4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate
SMILESO=C([O-])CCC(=O)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O4/c19-18(20,21)12-7-5-11(6-8-12)17(27)23-14-4-2-1-3-13(14)22-15(24)9-10-16(25)26/h1-8H,9-10H2,(H,22,24)(H,23,27)(H,25,26)/p-1
InChIKeyIZIUIEICIGLJQW-UHFFFAOYSA-M
MW379.31 g/mol
LogP2.43
Rot. Bonds6

About 4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate

4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate (PubChem CID 2192276) has the molecular formula C18H14F3N2O4- and a molecular weight of 379.31 g/mol. Its IUPAC name is 4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate.

Molecular Properties

Compound Name4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate
PubChem CID2192276
Molecular FormulaC18H14F3N2O4-
Molecular Weight379.31 g/mol
Exact Mass379.09
IUPAC Name4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate
SMILESO=C([O-])CCC(=O)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O4/c19-18(20,21)12-7-5-11(6-8-12)17(27)23-14-4-2-1-3-13(14)22-15(24)9-10-16(25)26/h1-8H,9-10H2,(H,22,24)(H,23,27)(H,25,26)/p-1
InChIKeyIZIUIEICIGLJQW-UHFFFAOYSA-M
XLogP2.43
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
CID 108933525
4-(2-hydroxyanilino)-4-oxobutanoate
CID 3615801
3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide
CID 1207911
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538
N-(2-phenylmethoxyphenyl)-4-(trifluoromethyl)benzamide
CID 141040203
1-N,3-N,5-N-tris[2-[4-(trifluoromethyl)anilino]phenyl]benzene-1,3,5-tricarboxamide
CID 90291612
4-(2-bromoanilino)-4-oxobutanoate
CID 6935665
3,4-bis(3-carboxylatopropanoylamino)benzoate
CID 2200367
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide
CID 82034348
N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide
CID 39192988
N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide
CID 141267227

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate?
The IUPAC name of 4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate (CID 2192276) is 4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate.
What is the SMILES notation for 4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate?
The canonical SMILES for 4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate is O=C([O-])CCC(=O)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate?
The InChIKey is IZIUIEICIGLJQW-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15F3N2O4/c19-18(20,21)12-7-5-11(6-8-12)17(27)23-14-4-2-1-3-13(14)22-15(24)9-10-16(25)26/h1-8H,9-10H2,(H,22,24)(H,23,27)(H,25,26)/p-1.
What are the key properties of 4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate?
4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate has a molecular weight of 379.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate is sourced from PubChem (CID 2192276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).