2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide

C9H7ClF3NO — CID 736744

IUPAC2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CCl)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H7ClF3NO/c10-5-8(15)14-7-3-1-2-6(4-7)9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyMOEJRZLPQODXGM-UHFFFAOYSA-N
MW237.61 g/mol
LogP2.88
Rot. Bonds2

About 2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide

2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 736744) has the molecular formula C9H7ClF3NO and a molecular weight of 237.61 g/mol. Its IUPAC name is 2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID736744
Molecular FormulaC9H7ClF3NO
Molecular Weight237.61 g/mol
Exact Mass237.02
IUPAC Name2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CCl)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H7ClF3NO/c10-5-8(15)14-7-3-1-2-6(4-7)9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyMOEJRZLPQODXGM-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.61
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide (CID 736744) is 2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CCl)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MOEJRZLPQODXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO/c10-5-8(15)14-7-3-1-2-6(4-7)9(11,12)13/h1-4H,5H2,(H,14,15).
What are the key properties of 2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide?
2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 237.61 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 736744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).