3-[4-chloro-3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one

C15H9ClF3NO2 — CID 5141203

IUPAC3-[4-chloro-3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C15H9ClF3NO2/c16-12-6-5-8(7-11(12)15(17,18)19)20-13-9-3-1-2-4-10(9)14(21)22-13/h1-7,13,20H
InChIKeyVOPMSINZACOUJY-UHFFFAOYSA-N
MW327.69 g/mol
LogP4.64
Rot. Bonds2

About 3-[4-chloro-3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one

3-[4-chloro-3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one (PubChem CID 5141203) has the molecular formula C15H9ClF3NO2 and a molecular weight of 327.69 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one
PubChem CID5141203
Molecular FormulaC15H9ClF3NO2
Molecular Weight327.69 g/mol
Exact Mass327.03
IUPAC Name3-[4-chloro-3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C15H9ClF3NO2/c16-12-6-5-8(7-11(12)15(17,18)19)20-13-9-3-1-2-4-10(9)14(21)22-13/h1-7,13,20H
InChIKeyVOPMSINZACOUJY-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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Related Compounds

(3S)-3-(3,4-dichloroanilino)-3H-2-benzofuran-1-one
CID 6929260
(3S)-3-(3-chloro-4-fluoroanilino)-3H-2-benzofuran-1-one
CID 706007
(3S)-3-[3,5-bis(2,2,2-trifluoroethoxy)anilino]-3H-2-benzofuran-1-one
CID 51391658
3-(4-propan-2-ylanilino)-3H-2-benzofuran-1-one
CID 3152810
(3S)-3-(4-nitroanilino)-3H-2-benzofuran-1-one
CID 7460415
(3R)-3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one
CID 6976636
(E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-6-phenylhex-5-enamide
CID 6148734
(3S)-3-(5-chloro-2-methylanilino)-3H-2-benzofuran-1-one
CID 706028
N-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide
CID 3949340
3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3H-2-benzofuran-1-one
CID 19245212
(3S)-3-(2-bromoanilino)-3H-2-benzofuran-1-one
CID 705980
[4-chloro-3-(trifluoromethyl)anilino] benzoate
CID 174783175

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one (CID 5141203) is 3-[4-chloro-3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one is O=C1OC(Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one?
The InChIKey is VOPMSINZACOUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NO2/c16-12-6-5-8(7-11(12)15(17,18)19)20-13-9-3-1-2-4-10(9)14(21)22-13/h1-7,13,20H.
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one?
3-[4-chloro-3-(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-[4-chloro-3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one is sourced from PubChem (CID 5141203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).