(2-anilino-2-oxo-1-phenylethyl) 2-(4-chlorophenyl)acetate

C22H18ClNO3 — CID 118256594

IUPAC(2-anilino-2-oxo-1-phenylethyl) 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)OC(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C22H18ClNO3/c23-18-13-11-16(12-14-18)15-20(25)27-21(17-7-3-1-4-8-17)22(26)24-19-9-5-2-6-10-19/h1-14,21H,15H2,(H,24,26)
InChIKeyQOUIVWCZJKTOBA-UHFFFAOYSA-N
MW379.84 g/mol
LogP4.81
Rot. Bonds6

About (2-anilino-2-oxo-1-phenylethyl) 2-(4-chlorophenyl)acetate

(2-anilino-2-oxo-1-phenylethyl) 2-(4-chlorophenyl)acetate (PubChem CID 118256594) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is (2-anilino-2-oxo-1-phenylethyl) 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name(2-anilino-2-oxo-1-phenylethyl) 2-(4-chlorophenyl)acetate
PubChem CID118256594
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name(2-anilino-2-oxo-1-phenylethyl) 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)OC(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C22H18ClNO3/c23-18-13-11-16(12-14-18)15-20(25)27-21(17-7-3-1-4-8-17)22(26)24-19-9-5-2-6-10-19/h1-14,21H,15H2,(H,24,26)
InChIKeyQOUIVWCZJKTOBA-UHFFFAOYSA-N
XLogP4.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxo-1-phenylethyl) 2-(4-chlorophenyl)acetate?
The IUPAC name of (2-anilino-2-oxo-1-phenylethyl) 2-(4-chlorophenyl)acetate (CID 118256594) is (2-anilino-2-oxo-1-phenylethyl) 2-(4-chlorophenyl)acetate.
What is the SMILES notation for (2-anilino-2-oxo-1-phenylethyl) 2-(4-chlorophenyl)acetate?
The canonical SMILES for (2-anilino-2-oxo-1-phenylethyl) 2-(4-chlorophenyl)acetate is O=C(Cc1ccc(Cl)cc1)OC(C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of (2-anilino-2-oxo-1-phenylethyl) 2-(4-chlorophenyl)acetate?
The InChIKey is QOUIVWCZJKTOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3/c23-18-13-11-16(12-14-18)15-20(25)27-21(17-7-3-1-4-8-17)22(26)24-19-9-5-2-6-10-19/h1-14,21H,15H2,(H,24,26).
What are the key properties of (2-anilino-2-oxo-1-phenylethyl) 2-(4-chlorophenyl)acetate?
(2-anilino-2-oxo-1-phenylethyl) 2-(4-chlorophenyl)acetate has a molecular weight of 379.84 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxo-1-phenylethyl) 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 118256594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).