N,N'-bis(4-chlorophenyl)-3-oxopentanediamide

C17H14Cl2N2O3 — CID 12654887

IUPACN,N'-bis(4-chlorophenyl)-3-oxopentanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2N2O3/c18-11-1-5-13(6-2-11)20-16(23)9-15(22)10-17(24)21-14-7-3-12(19)4-8-14/h1-8H,9-10H2,(H,20,23)(H,21,24)
InChIKeyYSIZAQBOKBDRCW-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.92
Rot. Bonds6

About N,N'-bis(4-chlorophenyl)-3-oxopentanediamide

N,N'-bis(4-chlorophenyl)-3-oxopentanediamide (PubChem CID 12654887) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is N,N'-bis(4-chlorophenyl)-3-oxopentanediamide.

Molecular Properties

Compound NameN,N'-bis(4-chlorophenyl)-3-oxopentanediamide
PubChem CID12654887
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC NameN,N'-bis(4-chlorophenyl)-3-oxopentanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2N2O3/c18-11-1-5-13(6-2-11)20-16(23)9-15(22)10-17(24)21-14-7-3-12(19)4-8-14/h1-8H,9-10H2,(H,20,23)(H,21,24)
InChIKeyYSIZAQBOKBDRCW-UHFFFAOYSA-N
XLogP3.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide
CID 45103866
(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
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N-(4-chlorophenyl)-2-isocyanoacetamide
CID 21020449
N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955063
N-(4-chlorophenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942039
3-chloro-N-(4-chlorophenyl)butanamide
CID 10681053
N-(4-chlorophenyl)-4,4,4-trifluorobutanamide
CID 155941225
2-chloro-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 2782070
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-phenylacetamide
CID 35270563
N-(4-chlorophenyl)-3-hydroxyiminopropanamide
CID 2764778
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-chlorophenyl)-3-oxopentanediamide?
The IUPAC name of N,N'-bis(4-chlorophenyl)-3-oxopentanediamide (CID 12654887) is N,N'-bis(4-chlorophenyl)-3-oxopentanediamide.
What is the SMILES notation for N,N'-bis(4-chlorophenyl)-3-oxopentanediamide?
The canonical SMILES for N,N'-bis(4-chlorophenyl)-3-oxopentanediamide is O=C(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N,N'-bis(4-chlorophenyl)-3-oxopentanediamide?
The InChIKey is YSIZAQBOKBDRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c18-11-1-5-13(6-2-11)20-16(23)9-15(22)10-17(24)21-14-7-3-12(19)4-8-14/h1-8H,9-10H2,(H,20,23)(H,21,24).
What are the key properties of N,N'-bis(4-chlorophenyl)-3-oxopentanediamide?
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide has a molecular weight of 365.22 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-chlorophenyl)-3-oxopentanediamide is sourced from PubChem (CID 12654887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).