N-(2-chloroanilino)-2-oxo-N'-phenylpropanimidamide

C15H14ClN3O — CID 11022531

IUPACN-(2-chloroanilino)-2-oxo-N'-phenylpropanimidamide
SMILESCC(=O)/C(=N\c1ccccc1)NNc1ccccc1Cl
InChIInChI=1S/C15H14ClN3O/c1-11(20)15(17-12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)16/h2-10,18H,1H3,(H,17,19)
InChIKeyGRZCZRWDMNLIQD-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.58
Rot. Bonds4

About N-(2-chloroanilino)-2-oxo-N'-phenylpropanimidamide

N-(2-chloroanilino)-2-oxo-N'-phenylpropanimidamide (PubChem CID 11022531) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is N-(2-chloroanilino)-2-oxo-N'-phenylpropanimidamide.

Molecular Properties

Compound NameN-(2-chloroanilino)-2-oxo-N'-phenylpropanimidamide
PubChem CID11022531
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC NameN-(2-chloroanilino)-2-oxo-N'-phenylpropanimidamide
SMILESCC(=O)/C(=N\c1ccccc1)NNc1ccccc1Cl
InChIInChI=1S/C15H14ClN3O/c1-11(20)15(17-12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)16/h2-10,18H,1H3,(H,17,19)
InChIKeyGRZCZRWDMNLIQD-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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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroanilino)-2-oxo-N'-phenylpropanimidamide?
The IUPAC name of N-(2-chloroanilino)-2-oxo-N'-phenylpropanimidamide (CID 11022531) is N-(2-chloroanilino)-2-oxo-N'-phenylpropanimidamide.
What is the SMILES notation for N-(2-chloroanilino)-2-oxo-N'-phenylpropanimidamide?
The canonical SMILES for N-(2-chloroanilino)-2-oxo-N'-phenylpropanimidamide is CC(=O)/C(=N\c1ccccc1)NNc1ccccc1Cl.
What is the InChIKey of N-(2-chloroanilino)-2-oxo-N'-phenylpropanimidamide?
The InChIKey is GRZCZRWDMNLIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-11(20)15(17-12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)16/h2-10,18H,1H3,(H,17,19).
What are the key properties of N-(2-chloroanilino)-2-oxo-N'-phenylpropanimidamide?
N-(2-chloroanilino)-2-oxo-N'-phenylpropanimidamide 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-(2-chloroanilino)-2-oxo-N'-phenylpropanimidamide is sourced from PubChem (CID 11022531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).