[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate

C16H11ClF3NO4 — CID 2428431

IUPAC[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H11ClF3NO4/c17-12-6-3-10(16(18,19)20)7-13(12)21-14(23)8-25-15(24)9-1-4-11(22)5-2-9/h1-7,22H,8H2,(H,21,23)
InChIKeyWXUGMQHGQPWIRM-UHFFFAOYSA-N
MW373.71 g/mol
LogP3.86
Rot. Bonds4

About [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate

[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 2428431) has the molecular formula C16H11ClF3NO4 and a molecular weight of 373.71 g/mol. Its IUPAC name is [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
PubChem CID2428431
Molecular FormulaC16H11ClF3NO4
Molecular Weight373.71 g/mol
Exact Mass373.03
IUPAC Name[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H11ClF3NO4/c17-12-6-3-10(16(18,19)20)7-13(12)21-14(23)8-25-15(24)9-1-4-11(22)5-2-9/h1-7,22H,8H2,(H,21,23)
InChIKeyWXUGMQHGQPWIRM-UHFFFAOYSA-N
XLogP3.86
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.71
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate (CID 2428431) is [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is WXUGMQHGQPWIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO4/c17-12-6-3-10(16(18,19)20)7-13(12)21-14(23)8-25-15(24)9-1-4-11(22)5-2-9/h1-7,22H,8H2,(H,21,23).
What are the key properties of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate?
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 373.71 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate is sourced from PubChem (CID 2428431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).