2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide

C16H11Cl2F3N2O3 — CID 152542515

IUPAC2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide
SMILESCCONC(=O)C(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C16H11Cl2F3N2O3/c1-2-26-23-15(25)14(24)10-5-8(3-4-11(10)17)13-12(18)6-9(7-22-13)16(19,20)21/h3-7H,2H2,1H3,(H,23,25)
InChIKeyYLVFEXRWYDCAPV-UHFFFAOYSA-N
MW407.18 g/mol
LogP4.32
Rot. Bonds5

About 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide

2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide (PubChem CID 152542515) has the molecular formula C16H11Cl2F3N2O3 and a molecular weight of 407.18 g/mol. Its IUPAC name is 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide
PubChem CID152542515
Molecular FormulaC16H11Cl2F3N2O3
Molecular Weight407.18 g/mol
Exact Mass406.01
IUPAC Name2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide
SMILESCCONC(=O)C(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C16H11Cl2F3N2O3/c1-2-26-23-15(25)14(24)10-5-8(3-4-11(10)17)13-12(18)6-9(7-22-13)16(19,20)21/h3-7H,2H2,1H3,(H,23,25)
InChIKeyYLVFEXRWYDCAPV-UHFFFAOYSA-N
XLogP4.32
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.18
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride
CID 19068751
2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 68945828
[[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]sulfonylamino] propanoate
CID 67658414
4-[[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]-3-methylbutanoic acid
CID 67658219
5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide
CID 89278626
ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxylate
CID 1486610
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 1480210
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxo-4H-1,2,4-triazine-6-carboxylate
CID 136768831
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2,5-dimethylbenzamide
CID 24888327
ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 124583640
ethyl 5-anilino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine-6-carboxylate
CID 110208611

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide?
The IUPAC name of 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide (CID 152542515) is 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide.
What is the SMILES notation for 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide?
The canonical SMILES for 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide is CCONC(=O)C(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl.
What is the InChIKey of 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide?
The InChIKey is YLVFEXRWYDCAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F3N2O3/c1-2-26-23-15(25)14(24)10-5-8(3-4-11(10)17)13-12(18)6-9(7-22-13)16(19,20)21/h3-7H,2H2,1H3,(H,23,25).
What are the key properties of 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide?
2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide has a molecular weight of 407.18 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide is sourced from PubChem (CID 152542515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).