[2-(benzylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate

C23H18ClNO4 — CID 2334435

IUPAC[2-(benzylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C23H18ClNO4/c24-18-12-10-17(11-13-18)22(27)19-8-4-5-9-20(19)23(28)29-15-21(26)25-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,26)
InChIKeyZNYWZUVLUQVFAZ-UHFFFAOYSA-N
MW407.85 g/mol
LogP4.04
Rot. Bonds7

About [2-(benzylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate

[2-(benzylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate (PubChem CID 2334435) has the molecular formula C23H18ClNO4 and a molecular weight of 407.85 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
PubChem CID2334435
Molecular FormulaC23H18ClNO4
Molecular Weight407.85 g/mol
Exact Mass407.09
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C23H18ClNO4/c24-18-12-10-17(11-13-18)22(27)19-8-4-5-9-20(19)23(28)29-15-21(26)25-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,26)
InChIKeyZNYWZUVLUQVFAZ-UHFFFAOYSA-N
XLogP4.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate (CID 2334435) is [2-(benzylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate is O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The InChIKey is ZNYWZUVLUQVFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO4/c24-18-12-10-17(11-13-18)22(27)19-8-4-5-9-20(19)23(28)29-15-21(26)25-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,26).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
[2-(benzylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate has a molecular weight of 407.85 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate is sourced from PubChem (CID 2334435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).