[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate

C24H18ClF3N2O4 — CID 55459883

IUPAC[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate
SMILESO=C(COC(=O)C(NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C24H18ClF3N2O4/c25-17-11-12-19(18(13-17)24(26,27)28)29-20(31)14-34-23(33)21(15-7-3-1-4-8-15)30-22(32)16-9-5-2-6-10-16/h1-13,21H,14H2,(H,29,31)(H,30,32)
InChIKeyYZAGFKWCCVESIA-UHFFFAOYSA-N
MW490.87 g/mol
LogP5.01
Rot. Bonds7

About [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate

[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate (PubChem CID 55459883) has the molecular formula C24H18ClF3N2O4 and a molecular weight of 490.87 g/mol. Its IUPAC name is [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate.

Molecular Properties

Compound Name[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate
PubChem CID55459883
Molecular FormulaC24H18ClF3N2O4
Molecular Weight490.87 g/mol
Exact Mass490.09
IUPAC Name[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate
SMILESO=C(COC(=O)C(NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C24H18ClF3N2O4/c25-17-11-12-19(18(13-17)24(26,27)28)29-20(31)14-34-23(33)21(15-7-3-1-4-8-15)30-22(32)16-9-5-2-6-10-16/h1-13,21H,14H2,(H,29,31)(H,30,32)
InChIKeyYZAGFKWCCVESIA-UHFFFAOYSA-N
XLogP5.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.87
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2397372
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 3-phenylprop-2-enoate
CID 4854506
[2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 46661250
2-(4-chlorophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 1352117
4-O-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089233
(2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 2464532
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 46789606
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 4512621
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 46519896
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55463162
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8850644

Frequently Asked Questions

What is the IUPAC name of [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate?
The IUPAC name of [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate (CID 55459883) is [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate.
What is the SMILES notation for [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate?
The canonical SMILES for [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate is O=C(COC(=O)C(NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate?
The InChIKey is YZAGFKWCCVESIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N2O4/c25-17-11-12-19(18(13-17)24(26,27)28)29-20(31)14-34-23(33)21(15-7-3-1-4-8-15)30-22(32)16-9-5-2-6-10-16/h1-13,21H,14H2,(H,29,31)(H,30,32).
What are the key properties of [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate?
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate has a molecular weight of 490.87 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate is sourced from PubChem (CID 55459883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).