[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate

C16H13Cl3N2O3 — CID 2484985

IUPAC[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESC[C@@H](NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C16H13Cl3N2O3/c1-9(10-5-3-2-4-6-10)21-12(22)8-24-16(23)15-14(19)13(18)11(17)7-20-15/h2-7,9H,8H2,1H3,(H,21,22)/t9-/m1/s1
InChIKeyPNISHJRPBXEFOW-SECBINFHSA-N
MW387.65 g/mol
LogP4.08
Rot. Bonds5

About [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate (PubChem CID 2484985) has the molecular formula C16H13Cl3N2O3 and a molecular weight of 387.65 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate
PubChem CID2484985
Molecular FormulaC16H13Cl3N2O3
Molecular Weight387.65 g/mol
Exact Mass386.00
IUPAC Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESC[C@@H](NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C16H13Cl3N2O3/c1-9(10-5-3-2-4-6-10)21-12(22)8-24-16(23)15-14(19)13(18)11(17)7-20-15/h2-7,9H,8H2,1H3,(H,21,22)/t9-/m1/s1
InChIKeyPNISHJRPBXEFOW-SECBINFHSA-N
XLogP4.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 7519397
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 8569441
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 8569484
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] pyridine-4-carboxylate
CID 7783953
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 2534802
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 5-chloro-2-fluorobenzoate
CID 95181216
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872991
[2-(4-acetylanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2485001
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2503150
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-iodobenzoate
CID 2509775

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate (CID 2484985) is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate is C[C@@H](NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate?
The InChIKey is PNISHJRPBXEFOW-SECBINFHSA-N. The full InChI is InChI=1S/C16H13Cl3N2O3/c1-9(10-5-3-2-4-6-10)21-12(22)8-24-16(23)15-14(19)13(18)11(17)7-20-15/h2-7,9H,8H2,1H3,(H,21,22)/t9-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate?
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate has a molecular weight of 387.65 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate is sourced from PubChem (CID 2484985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).