N-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide

C10H6ClF4NO2 — CID 135051238

IUPACN-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide
SMILESO=C(CCl)c1c(F)cccc1NC(=O)C(F)(F)F
InChIInChI=1S/C10H6ClF4NO2/c11-4-7(17)8-5(12)2-1-3-6(8)16-9(18)10(13,14)15/h1-3H,4H2,(H,16,18)
InChIKeyXZEWGAHUWNHDCO-UHFFFAOYSA-N
MW283.61 g/mol
LogP2.75
Rot. Bonds3

About N-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide

N-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide (PubChem CID 135051238) has the molecular formula C10H6ClF4NO2 and a molecular weight of 283.61 g/mol. Its IUPAC name is N-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide
PubChem CID135051238
Molecular FormulaC10H6ClF4NO2
Molecular Weight283.61 g/mol
Exact Mass283.00
IUPAC NameN-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide
SMILESO=C(CCl)c1c(F)cccc1NC(=O)C(F)(F)F
InChIInChI=1S/C10H6ClF4NO2/c11-4-7(17)8-5(12)2-1-3-6(8)16-9(18)10(13,14)15/h1-3H,4H2,(H,16,18)
InChIKeyXZEWGAHUWNHDCO-UHFFFAOYSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.61
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934234
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374871
2,2,2-trifluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]acetamide
CID 88921988
2-[(2-amino-2-methylpentanoyl)amino]-6-fluorobenzoic acid
CID 61158491
2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
CID 131169270
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide
CID 4123319
2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933413
N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide
CID 162403367
2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide
CID 164656809
3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934210
2-acetamido-6-fluorobenzoate
CID 6933649
2-fluoro-6-[[4-(trifluoromethyl)phenyl]methylsulfanylcarbonylamino]benzoic acid
CID 155166300

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide (CID 135051238) is N-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide is O=C(CCl)c1c(F)cccc1NC(=O)C(F)(F)F.
What is the InChIKey of N-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide?
The InChIKey is XZEWGAHUWNHDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF4NO2/c11-4-7(17)8-5(12)2-1-3-6(8)16-9(18)10(13,14)15/h1-3H,4H2,(H,16,18).
What are the key properties of N-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide?
N-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide has a molecular weight of 283.61 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 135051238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).