2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide

C14H9Cl2F3N2O — CID 109011156

IUPAC2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H9Cl2F3N2O/c15-8-2-1-7(5-9(8)16)20-6-12(22)21-11-4-3-10(17)13(18)14(11)19/h1-5,20H,6H2,(H,21,22)
InChIKeyNEBDANLDZUQZSF-UHFFFAOYSA-N
MW349.14 g/mol
LogP4.46
Rot. Bonds4

About 2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide

2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 109011156) has the molecular formula C14H9Cl2F3N2O and a molecular weight of 349.14 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID109011156
Molecular FormulaC14H9Cl2F3N2O
Molecular Weight349.14 g/mol
Exact Mass348.00
IUPAC Name2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H9Cl2F3N2O/c15-8-2-1-7(5-9(8)16)20-6-12(22)21-11-4-3-10(17)13(18)14(11)19/h1-5,20H,6H2,(H,21,22)
InChIKeyNEBDANLDZUQZSF-UHFFFAOYSA-N
XLogP4.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.14
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-(3,4-dichloroanilino)acetamide
CID 29294726
2-(3-chloro-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 26437681
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9099592
2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 39447577
methyl 4-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]benzoate
CID 109010186
2-(4-chloro-3-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 47313465
N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 9099793
N-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetamide
CID 9099109
2-(3,4-dichloroanilino)-N-(2,5-dimethylphenyl)acetamide
CID 26416900
N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109008626
2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 9345460

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide (CID 109011156) is 2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide is O=C(CNc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is NEBDANLDZUQZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3N2O/c15-8-2-1-7(5-9(8)16)20-6-12(22)21-11-4-3-10(17)13(18)14(11)19/h1-5,20H,6H2,(H,21,22).
What are the key properties of 2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide?
2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 349.14 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 109011156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).