2,2-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C9H5Cl3F3NO — CID 19171319

IUPAC2,2-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(Cl)Cl
InChIInChI=1S/C9H5Cl3F3NO/c10-6-2-1-4(16-8(17)7(11)12)3-5(6)9(13,14)15/h1-3,7H,(H,16,17)
InChIKeyGOSGWKQSZFHDKD-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.10
Rot. Bonds2

About 2,2-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2,2-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 19171319) has the molecular formula C9H5Cl3F3NO and a molecular weight of 306.50 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID19171319
Molecular FormulaC9H5Cl3F3NO
Molecular Weight306.50 g/mol
Exact Mass304.94
IUPAC Name2,2-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(Cl)Cl
InChIInChI=1S/C9H5Cl3F3NO/c10-6-2-1-4(16-8(17)7(11)12)3-5(6)9(13,14)15/h1-3,7H,(H,16,17)
InChIKeyGOSGWKQSZFHDKD-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.10
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 2,2-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 19171319) is 2,2-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GOSGWKQSZFHDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3F3NO/c10-6-2-1-4(16-8(17)7(11)12)3-5(6)9(13,14)15/h1-3,7H,(H,16,17).
What are the key properties of 2,2-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2,2-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 306.50 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 19171319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).