(4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate

C19H15Cl4NO4 — CID 15754056

IUPAC(4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate
SMILESCC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)C(Cl)C(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl4NO4/c1-19(2,24-17(26)10-7-12(21)9-13(22)8-10)16(25)15(23)18(27)28-14-5-3-11(20)4-6-14/h3-9,15H,1-2H3,(H,24,26)
InChIKeyKXMFSBMTYZFXQY-UHFFFAOYSA-N
MW463.14 g/mol
LogP4.94
Rot. Bonds6

About (4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate

(4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate (PubChem CID 15754056) has the molecular formula C19H15Cl4NO4 and a molecular weight of 463.14 g/mol. Its IUPAC name is (4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate.

Molecular Properties

Compound Name(4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate
PubChem CID15754056
Molecular FormulaC19H15Cl4NO4
Molecular Weight463.14 g/mol
Exact Mass460.98
IUPAC Name(4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate
SMILESCC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)C(Cl)C(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl4NO4/c1-19(2,24-17(26)10-7-12(21)9-13(22)8-10)16(25)15(23)18(27)28-14-5-3-11(20)4-6-14/h3-9,15H,1-2H3,(H,24,26)
InChIKeyKXMFSBMTYZFXQY-UHFFFAOYSA-N
XLogP4.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.14
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate?
The IUPAC name of (4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate (CID 15754056) is (4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate.
What is the SMILES notation for (4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate?
The canonical SMILES for (4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate is CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)C(Cl)C(=O)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate?
The InChIKey is KXMFSBMTYZFXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl4NO4/c1-19(2,24-17(26)10-7-12(21)9-13(22)8-10)16(25)15(23)18(27)28-14-5-3-11(20)4-6-14/h3-9,15H,1-2H3,(H,24,26).
What are the key properties of (4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate?
(4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate has a molecular weight of 463.14 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate is sourced from PubChem (CID 15754056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).