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

C29H22ClNO4 — CID 2333687

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H22ClNO4/c30-23-17-15-22(16-18-23)28(33)24-13-7-8-14-25(24)29(34)35-19-26(32)31-27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,27H,19H2,(H,31,32)
InChIKeyWBZOPADVSLATBD-UHFFFAOYSA-N
MW483.95 g/mol
LogP5.63
Rot. Bonds8

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

[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate (PubChem CID 2333687) has the molecular formula C29H22ClNO4 and a molecular weight of 483.95 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
PubChem CID2333687
Molecular FormulaC29H22ClNO4
Molecular Weight483.95 g/mol
Exact Mass483.12
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H22ClNO4/c30-23-17-15-22(16-18-23)28(33)24-13-7-8-14-25(24)29(34)35-19-26(32)31-27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,27H,19H2,(H,31,32)
InChIKeyWBZOPADVSLATBD-UHFFFAOYSA-N
XLogP5.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.95
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate (CID 2333687) is [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate is O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The InChIKey is WBZOPADVSLATBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClNO4/c30-23-17-15-22(16-18-23)28(33)24-13-7-8-14-25(24)29(34)35-19-26(32)31-27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,27H,19H2,(H,31,32).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate has a molecular weight of 483.95 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate is sourced from PubChem (CID 2333687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).