2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide

C10H7ClF3NO2 — CID 174969003

IUPAC2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccccc1C(=O)C(F)(F)F
InChIInChI=1S/C10H7ClF3NO2/c11-5-8(16)15-7-4-2-1-3-6(7)9(17)10(12,13)14/h1-4H,5H2,(H,15,16)
InChIKeyZCPZZUWHOCRAOL-UHFFFAOYSA-N
MW265.62 g/mol
LogP2.61
Rot. Bonds3

About 2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide

2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide (PubChem CID 174969003) has the molecular formula C10H7ClF3NO2 and a molecular weight of 265.62 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide
PubChem CID174969003
Molecular FormulaC10H7ClF3NO2
Molecular Weight265.62 g/mol
Exact Mass265.01
IUPAC Name2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccccc1C(=O)C(F)(F)F
InChIInChI=1S/C10H7ClF3NO2/c11-5-8(16)15-7-4-2-1-3-6(7)9(17)10(12,13)14/h1-4H,5H2,(H,15,16)
InChIKeyZCPZZUWHOCRAOL-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 52.61
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

1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone
CID 141298206
2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide
CID 21369565
2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide
CID 155580453
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 2774319
2-chloro-N-(2-formylphenyl)acetamide
CID 12533349
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374871
3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 43698457
2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone
CID 2761164
N-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 24878934
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide (CID 174969003) is 2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide is O=C(CCl)Nc1ccccc1C(=O)C(F)(F)F.
What is the InChIKey of 2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide?
The InChIKey is ZCPZZUWHOCRAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3NO2/c11-5-8(16)15-7-4-2-1-3-6(7)9(17)10(12,13)14/h1-4H,5H2,(H,15,16).
What are the key properties of 2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide?
2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide has a molecular weight of 265.62 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide is sourced from PubChem (CID 174969003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).