[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate

C21H15ClF3N3O4 — CID 2434069

IUPAC[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc2ccccc2c1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C21H15ClF3N3O4/c22-16-8-15(21(23,24)25)9-26-19(16)28-17(29)11-32-18(30)10-27-20(31)14-6-5-12-3-1-2-4-13(12)7-14/h1-9H,10-11H2,(H,27,31)(H,26,28,29)
InChIKeyJGBQXFVSZDFQLD-UHFFFAOYSA-N
MW465.82 g/mol
LogP3.82
Rot. Bonds6

About [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate (PubChem CID 2434069) has the molecular formula C21H15ClF3N3O4 and a molecular weight of 465.82 g/mol. Its IUPAC name is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
PubChem CID2434069
Molecular FormulaC21H15ClF3N3O4
Molecular Weight465.82 g/mol
Exact Mass465.07
IUPAC Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc2ccccc2c1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C21H15ClF3N3O4/c22-16-8-15(21(23,24)25)9-26-19(16)28-17(29)11-32-18(30)10-27-20(31)14-6-5-12-3-1-2-4-13(12)7-14/h1-9H,10-11H2,(H,27,31)(H,26,28,29)
InChIKeyJGBQXFVSZDFQLD-UHFFFAOYSA-N
XLogP3.82
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.82
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 2385423
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2433334
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 3273541
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881074
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2475003
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 2376998
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 2377984
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 4235992
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pentanoate
CID 2405035
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 2385544
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-methylpropanoate
CID 2404388
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 4829933

Frequently Asked Questions

What is the IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate (CID 2434069) is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate.
What is the SMILES notation for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The canonical SMILES for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate is O=C(COC(=O)CNC(=O)c1ccc2ccccc2c1)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The InChIKey is JGBQXFVSZDFQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O4/c22-16-8-15(21(23,24)25)9-26-19(16)28-17(29)11-32-18(30)10-27-20(31)14-6-5-12-3-1-2-4-13(12)7-14/h1-9H,10-11H2,(H,27,31)(H,26,28,29).
What are the key properties of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate has a molecular weight of 465.82 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate is sourced from PubChem (CID 2434069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).