[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate

C15H9Cl2F3N2O3 — CID 7351860

IUPAC[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate
SMILESC[C@@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H9Cl2F3N2O3/c1-6(25-15(24)13-7(16)2-5-10(17)22-13)14(23)21-9-4-3-8(18)11(19)12(9)20/h2-6H,1H3,(H,21,23)/t6-/m1/s1
InChIKeyJOUBMKDGCNRECJ-ZCFIWIBFSA-N
MW393.15 g/mol
LogP3.99
Rot. Bonds4

About [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate

[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate (PubChem CID 7351860) has the molecular formula C15H9Cl2F3N2O3 and a molecular weight of 393.15 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate
PubChem CID7351860
Molecular FormulaC15H9Cl2F3N2O3
Molecular Weight393.15 g/mol
Exact Mass391.99
IUPAC Name[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate
SMILESC[C@@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H9Cl2F3N2O3/c1-6(25-15(24)13-7(16)2-5-10(17)22-13)14(23)21-9-4-3-8(18)11(19)12(9)20/h2-6H,1H3,(H,21,23)/t6-/m1/s1
InChIKeyJOUBMKDGCNRECJ-ZCFIWIBFSA-N
XLogP3.99
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.15
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3,6-dichloropyridine-2-carboxylate
CID 46618220
[(2R)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3,6-dichloropyridine-2-carboxylate
CID 51466786
1-O-methyl 4-O-[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] benzene-1,4-dicarboxylate
CID 7296578
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-amino-3,5-dichlorobenzoate
CID 16539465
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750329
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846079
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949869
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-hydroxybenzoate
CID 7484915
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 4-(difluoromethoxy)benzoate
CID 7234289
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-methoxyphenoxy)propanoate
CID 46519596
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate
CID 46790445

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate (CID 7351860) is [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate is C[C@@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate?
The InChIKey is JOUBMKDGCNRECJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C15H9Cl2F3N2O3/c1-6(25-15(24)13-7(16)2-5-10(17)22-13)14(23)21-9-4-3-8(18)11(19)12(9)20/h2-6H,1H3,(H,21,23)/t6-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate?
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate has a molecular weight of 393.15 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate is sourced from PubChem (CID 7351860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).