2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide

C14H9Cl3FNO — CID 797745

IUPAC2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3FNO/c15-10-6-12(17)13(7-11(10)16)19-14(20)5-8-1-3-9(18)4-2-8/h1-4,6-7H,5H2,(H,19,20)
InChIKeyVTLSGAPLMACWQV-UHFFFAOYSA-N
MW332.59 g/mol
LogP4.97
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide

2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 797745) has the molecular formula C14H9Cl3FNO and a molecular weight of 332.59 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID797745
Molecular FormulaC14H9Cl3FNO
Molecular Weight332.59 g/mol
Exact Mass330.97
IUPAC Name2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3FNO/c15-10-6-12(17)13(7-11(10)16)19-14(20)5-8-1-3-9(18)4-2-8/h1-4,6-7H,5H2,(H,19,20)
InChIKeyVTLSGAPLMACWQV-UHFFFAOYSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 7961331
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001259
1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea
CID 3251975
N-(5-amino-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 16789035
2-(3-hydroxyphenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 61399936
2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
CID 28666359
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4854024
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 35564457
2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide
CID 43438160
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide
CID 126068193

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide (CID 797745) is 2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is VTLSGAPLMACWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3FNO/c15-10-6-12(17)13(7-11(10)16)19-14(20)5-8-1-3-9(18)4-2-8/h1-4,6-7H,5H2,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide?
2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 332.59 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 797745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).