2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C16H12ClF3N2O3 — CID 7601440

IUPAC2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(COc1cccc(Cl)c1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H12ClF3N2O3/c17-9-2-1-3-10(6-9)25-8-14(24)21-7-13(23)22-12-5-4-11(18)15(19)16(12)20/h1-6H,7-8H2,(H,21,24)(H,22,23)
InChIKeyRHDOIARLQVPAKY-UHFFFAOYSA-N
MW372.73 g/mol
LogP2.89
Rot. Bonds6

About 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 7601440) has the molecular formula C16H12ClF3N2O3 and a molecular weight of 372.73 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID7601440
Molecular FormulaC16H12ClF3N2O3
Molecular Weight372.73 g/mol
Exact Mass372.05
IUPAC Name2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(COc1cccc(Cl)c1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H12ClF3N2O3/c17-9-2-1-3-10(6-9)25-8-14(24)21-7-13(23)22-12-5-4-11(18)15(19)16(12)20/h1-6H,7-8H2,(H,21,24)(H,22,23)
InChIKeyRHDOIARLQVPAKY-UHFFFAOYSA-N
XLogP2.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.73
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2633081
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2527865
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7535879
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7858908
2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 4839539
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661
[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate
CID 46531351
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7809229
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 8502071
2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9013268
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803669

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 7601440) is 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is O=C(COc1cccc(Cl)c1)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is RHDOIARLQVPAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O3/c17-9-2-1-3-10(6-9)25-8-14(24)21-7-13(23)22-12-5-4-11(18)15(19)16(12)20/h1-6H,7-8H2,(H,21,24)(H,22,23).
What are the key properties of 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 372.73 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 7601440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).