3-[2-chloro-5-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one

C15H9ClF3NO2 — CID 3700043

IUPAC3-[2-chloro-5-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc21
InChIInChI=1S/C15H9ClF3NO2/c16-11-6-5-8(15(17,18)19)7-12(11)20-13-9-3-1-2-4-10(9)14(21)22-13/h1-7,13,20H
InChIKeyDUALRDFUFSFIMI-UHFFFAOYSA-N
MW327.69 g/mol
LogP4.64
Rot. Bonds2

About 3-[2-chloro-5-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one

3-[2-chloro-5-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one (PubChem CID 3700043) has the molecular formula C15H9ClF3NO2 and a molecular weight of 327.69 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one
PubChem CID3700043
Molecular FormulaC15H9ClF3NO2
Molecular Weight327.69 g/mol
Exact Mass327.03
IUPAC Name3-[2-chloro-5-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc21
InChIInChI=1S/C15H9ClF3NO2/c16-11-6-5-8(15(17,18)19)7-12(11)20-13-9-3-1-2-4-10(9)14(21)22-13/h1-7,13,20H
InChIKeyDUALRDFUFSFIMI-UHFFFAOYSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one (CID 3700043) is 3-[2-chloro-5-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one is O=C1OC(Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc21.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one?
The InChIKey is DUALRDFUFSFIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NO2/c16-11-6-5-8(15(17,18)19)7-12(11)20-13-9-3-1-2-4-10(9)14(21)22-13/h1-7,13,20H.
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one?
3-[2-chloro-5-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one has a molecular weight of 327.69 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one is sourced from PubChem (CID 3700043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).