2-fluoro-N-(3,4,5-trichlorophenyl)acetamide

C8H5Cl3FNO — CID 169302976

IUPAC2-fluoro-N-(3,4,5-trichlorophenyl)acetamide
SMILESO=C(CF)Nc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C8H5Cl3FNO/c9-5-1-4(13-7(14)3-12)2-6(10)8(5)11/h1-2H,3H2,(H,13,14)
InChIKeyYQGKNPIVEORZHV-UHFFFAOYSA-N
MW256.49 g/mol
LogP3.55
Rot. Bonds2

About 2-fluoro-N-(3,4,5-trichlorophenyl)acetamide

2-fluoro-N-(3,4,5-trichlorophenyl)acetamide (PubChem CID 169302976) has the molecular formula C8H5Cl3FNO and a molecular weight of 256.49 g/mol. Its IUPAC name is 2-fluoro-N-(3,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-fluoro-N-(3,4,5-trichlorophenyl)acetamide
PubChem CID169302976
Molecular FormulaC8H5Cl3FNO
Molecular Weight256.49 g/mol
Exact Mass254.94
IUPAC Name2-fluoro-N-(3,4,5-trichlorophenyl)acetamide
SMILESO=C(CF)Nc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C8H5Cl3FNO/c9-5-1-4(13-7(14)3-12)2-6(10)8(5)11/h1-2H,3H2,(H,13,14)
InChIKeyYQGKNPIVEORZHV-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(3,4,5-trichlorophenyl)butanamide
CID 71446010
N-[2,6-dichloro-4-(fluoromethyl)phenyl]-2-fluoroacetamide
CID 169302904
3-bromo-N-(3,5-dichlorophenyl)propanamide
CID 112698581
2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
CID 102528845
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695542
N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybutanamide
CID 107681679
4-methyl-N-(3,4,5-trichlorophenyl)benzamide
CID 18739044
3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide
CID 54867408
N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 104786861
N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,6-difluorophenyl)acetamide
CID 82880113
5-(4-amino-3,5-dichloroanilino)-5-oxopentanoic acid
CID 881207
N-(3,5-dichloro-4-methylphenyl)-2-[ethyl(methyl)amino]acetamide
CID 70810375

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-fluoro-N-(3,4,5-trichlorophenyl)acetamide (CID 169302976) is 2-fluoro-N-(3,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-fluoro-N-(3,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-fluoro-N-(3,4,5-trichlorophenyl)acetamide is O=C(CF)Nc1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 2-fluoro-N-(3,4,5-trichlorophenyl)acetamide?
The InChIKey is YQGKNPIVEORZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3FNO/c9-5-1-4(13-7(14)3-12)2-6(10)8(5)11/h1-2H,3H2,(H,13,14).
What are the key properties of 2-fluoro-N-(3,4,5-trichlorophenyl)acetamide?
2-fluoro-N-(3,4,5-trichlorophenyl)acetamide has a molecular weight of 256.49 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 169302976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).