[2-(4-chloroanilino)-2-oxoethyl] 4-hydroxybenzoate

C15H12ClNO4 — CID 883521

IUPAC[2-(4-chloroanilino)-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO4/c16-11-3-5-12(6-4-11)17-14(19)9-21-15(20)10-1-7-13(18)8-2-10/h1-8,18H,9H2,(H,17,19)
InChIKeyBFUWLZNXKOUWJR-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.84
Rot. Bonds4

About [2-(4-chloroanilino)-2-oxoethyl] 4-hydroxybenzoate

[2-(4-chloroanilino)-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 883521) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl] 4-hydroxybenzoate
PubChem CID883521
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO4/c16-11-3-5-12(6-4-11)17-14(19)9-21-15(20)10-1-7-13(18)8-2-10/h1-8,18H,9H2,(H,17,19)
InChIKeyBFUWLZNXKOUWJR-UHFFFAOYSA-N
XLogP2.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 4-hydroxybenzoate (CID 883521) is [2-(4-chloroanilino)-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl] 4-hydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1)Nc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is BFUWLZNXKOUWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c16-11-3-5-12(6-4-11)17-14(19)9-21-15(20)10-1-7-13(18)8-2-10/h1-8,18H,9H2,(H,17,19).
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl] 4-hydroxybenzoate?
[2-(4-chloroanilino)-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 305.72 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl] 4-hydroxybenzoate is sourced from PubChem (CID 883521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).