phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate

C22H15Cl2NO4 — CID 2725420

IUPACphenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H15Cl2NO4/c23-16-8-6-15(7-9-16)21(27)25-19-12-17(24)10-11-18(19)22(28)29-13-20(26)14-4-2-1-3-5-14/h1-12H,13H2,(H,25,27)
InChIKeyDLKYTFYCVBXAHX-UHFFFAOYSA-N
MW428.27 g/mol
LogP5.29
Rot. Bonds6

About phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate

phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate (PubChem CID 2725420) has the molecular formula C22H15Cl2NO4 and a molecular weight of 428.27 g/mol. Its IUPAC name is phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namephenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate
PubChem CID2725420
Molecular FormulaC22H15Cl2NO4
Molecular Weight428.27 g/mol
Exact Mass427.04
IUPAC Namephenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H15Cl2NO4/c23-16-8-6-15(7-9-16)21(27)25-19-12-17(24)10-11-18(19)22(28)29-13-20(26)14-4-2-1-3-5-14/h1-12H,13H2,(H,25,27)
InChIKeyDLKYTFYCVBXAHX-UHFFFAOYSA-N
XLogP5.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.27
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221163
phenacyl 2-(4-chlorobenzoyl)benzoate
CID 2586328
[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate
CID 587174
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]benzoate
CID 2308596
[2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 1217734
[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate
CID 126188615
phenacyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate
CID 46794880
[2-(2-methoxyethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate
CID 9318757
(2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate
CID 9318888
[2-(4-nitrophenyl)-2-oxoethyl] 2-[(4-nitrobenzoyl)amino]benzoate
CID 23934195
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 16521702
ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate
CID 16725910

Frequently Asked Questions

What is the IUPAC name of phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate?
The IUPAC name of phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate (CID 2725420) is phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate.
What is the SMILES notation for phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate?
The canonical SMILES for phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate is O=C(COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate?
The InChIKey is DLKYTFYCVBXAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NO4/c23-16-8-6-15(7-9-16)21(27)25-19-12-17(24)10-11-18(19)22(28)29-13-20(26)14-4-2-1-3-5-14/h1-12H,13H2,(H,25,27).
What are the key properties of phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate?
phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate has a molecular weight of 428.27 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate is sourced from PubChem (CID 2725420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).