N-anilino-N'-(2-chlorophenyl)-2-oxopropanimidamide

C15H14ClN3O — CID 3983703

IUPACN-anilino-N'-(2-chlorophenyl)-2-oxopropanimidamide
SMILESCC(=O)/C(=N\c1ccccc1Cl)NNc1ccccc1
InChIInChI=1S/C15H14ClN3O/c1-11(20)15(17-14-10-6-5-9-13(14)16)19-18-12-7-3-2-4-8-12/h2-10,18H,1H3,(H,17,19)
InChIKeyDWZRARIDEZJVAU-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.58
Rot. Bonds4

About N-anilino-N'-(2-chlorophenyl)-2-oxopropanimidamide

N-anilino-N'-(2-chlorophenyl)-2-oxopropanimidamide (PubChem CID 3983703) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is N-anilino-N'-(2-chlorophenyl)-2-oxopropanimidamide.

Molecular Properties

Compound NameN-anilino-N'-(2-chlorophenyl)-2-oxopropanimidamide
PubChem CID3983703
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC NameN-anilino-N'-(2-chlorophenyl)-2-oxopropanimidamide
SMILESCC(=O)/C(=N\c1ccccc1Cl)NNc1ccccc1
InChIInChI=1S/C15H14ClN3O/c1-11(20)15(17-14-10-6-5-9-13(14)16)19-18-12-7-3-2-4-8-12/h2-10,18H,1H3,(H,17,19)
InChIKeyDWZRARIDEZJVAU-UHFFFAOYSA-N
XLogP3.58
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.58
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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Related Compounds

N-(3-chlorophenyl)-N'-(2-methylphenyl)-2-oxopropanehydrazonamide
CID 1799074
TY-52156
CID 16046248
N-(3-chloroanilino)-N'-(2,4-dichlorophenyl)-2-oxopropanimidamide
CID 1799038
N-(4-chloroanilino)-N'-(2-chlorophenyl)-2-oxopropanimidamide
CID 1799070
(1E)-N''-(2-chlorophenyl)-N-(3-ethynylphenyl)-2-oxopropanehydrazonamide
CID 10041172
(1E)-N''-(2-chlorophenyl)-N-(3-fluorophenyl)-2-oxopropanehydrazonamide
CID 10402860
(1E)-N''-(2-chlorophenyl)-N-(3-methylphenyl)-2-oxopropanehydrazonamide
CID 10902707
(1E)-N''-(2-chlorophenyl)-2-oxo-N-phenylpropanehydrazonamide
CID 11022531
(1E)-N''-(2-chlorophenyl)-N-(3-chlorophenyl)-2-oxopropanehydrazonamide
CID 11045497
(1E)-N-(3-chlorophenyl)-2-oxo-N''-[2-(trifluoromethyl)phenyl]propanehydrazonamide
CID 11046479
(1E)-2-oxo-N,N''-diphenylpropanehydrazonamide
CID 10857993
N'-(3-chlorophenyl)-2-oxopropanehydrazonamide
CID 9693090

Frequently Asked Questions

What is the IUPAC name of N-anilino-N'-(2-chlorophenyl)-2-oxopropanimidamide?
The IUPAC name of N-anilino-N'-(2-chlorophenyl)-2-oxopropanimidamide (CID 3983703) is N-anilino-N'-(2-chlorophenyl)-2-oxopropanimidamide.
What is the SMILES notation for N-anilino-N'-(2-chlorophenyl)-2-oxopropanimidamide?
The canonical SMILES for N-anilino-N'-(2-chlorophenyl)-2-oxopropanimidamide is CC(=O)/C(=N\c1ccccc1Cl)NNc1ccccc1.
What is the InChIKey of N-anilino-N'-(2-chlorophenyl)-2-oxopropanimidamide?
The InChIKey is DWZRARIDEZJVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-11(20)15(17-14-10-6-5-9-13(14)16)19-18-12-7-3-2-4-8-12/h2-10,18H,1H3,(H,17,19).
What are the key properties of N-anilino-N'-(2-chlorophenyl)-2-oxopropanimidamide?
N-anilino-N'-(2-chlorophenyl)-2-oxopropanimidamide has a molecular weight of 287.75 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-anilino-N'-(2-chlorophenyl)-2-oxopropanimidamide is sourced from PubChem (CID 3983703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).