N-(2-chloroanilino)-N'-(3-chlorophenyl)-2-oxopropanimidamide

C15H13Cl2N3O — CID 11045497

IUPACN-(2-chloroanilino)-N'-(3-chlorophenyl)-2-oxopropanimidamide
SMILESCC(=O)/C(=N\c1cccc(Cl)c1)NNc1ccccc1Cl
InChIInChI=1S/C15H13Cl2N3O/c1-10(21)15(18-12-6-4-5-11(16)9-12)20-19-14-8-3-2-7-13(14)17/h2-9,19H,1H3,(H,18,20)
InChIKeyUPDIANIMXSDAJB-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.23
Rot. Bonds4

About N-(2-chloroanilino)-N'-(3-chlorophenyl)-2-oxopropanimidamide

N-(2-chloroanilino)-N'-(3-chlorophenyl)-2-oxopropanimidamide (PubChem CID 11045497) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is N-(2-chloroanilino)-N'-(3-chlorophenyl)-2-oxopropanimidamide.

Molecular Properties

Compound NameN-(2-chloroanilino)-N'-(3-chlorophenyl)-2-oxopropanimidamide
PubChem CID11045497
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC NameN-(2-chloroanilino)-N'-(3-chlorophenyl)-2-oxopropanimidamide
SMILESCC(=O)/C(=N\c1cccc(Cl)c1)NNc1ccccc1Cl
InChIInChI=1S/C15H13Cl2N3O/c1-10(21)15(18-12-6-4-5-11(16)9-12)20-19-14-8-3-2-7-13(14)17/h2-9,19H,1H3,(H,18,20)
InChIKeyUPDIANIMXSDAJB-UHFFFAOYSA-N
XLogP4.23
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroanilino)-N'-(3-chlorophenyl)-2-oxopropanimidamide?
The IUPAC name of N-(2-chloroanilino)-N'-(3-chlorophenyl)-2-oxopropanimidamide (CID 11045497) is N-(2-chloroanilino)-N'-(3-chlorophenyl)-2-oxopropanimidamide.
What is the SMILES notation for N-(2-chloroanilino)-N'-(3-chlorophenyl)-2-oxopropanimidamide?
The canonical SMILES for N-(2-chloroanilino)-N'-(3-chlorophenyl)-2-oxopropanimidamide is CC(=O)/C(=N\c1cccc(Cl)c1)NNc1ccccc1Cl.
What is the InChIKey of N-(2-chloroanilino)-N'-(3-chlorophenyl)-2-oxopropanimidamide?
The InChIKey is UPDIANIMXSDAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-10(21)15(18-12-6-4-5-11(16)9-12)20-19-14-8-3-2-7-13(14)17/h2-9,19H,1H3,(H,18,20).
What are the key properties of N-(2-chloroanilino)-N'-(3-chlorophenyl)-2-oxopropanimidamide?
N-(2-chloroanilino)-N'-(3-chlorophenyl)-2-oxopropanimidamide has a molecular weight of 322.20 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroanilino)-N'-(3-chlorophenyl)-2-oxopropanimidamide is sourced from PubChem (CID 11045497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).