N-(4-chloroanilino)-N'-(3-fluorophenyl)-2-oxo-2-phenylethanimidamide

C20H15ClFN3O — CID 16718483

IUPACN-(4-chloroanilino)-N'-(3-fluorophenyl)-2-oxo-2-phenylethanimidamide
SMILESO=C(/C(=N/c1cccc(F)c1)NNc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H15ClFN3O/c21-15-9-11-17(12-10-15)24-25-20(19(26)14-5-2-1-3-6-14)23-18-8-4-7-16(22)13-18/h1-13,24H,(H,23,25)
InChIKeyLIPSUPROKTUISE-UHFFFAOYSA-N
MW367.81 g/mol
LogP5.01
Rot. Bonds5

About N-(4-chloroanilino)-N'-(3-fluorophenyl)-2-oxo-2-phenylethanimidamide

N-(4-chloroanilino)-N'-(3-fluorophenyl)-2-oxo-2-phenylethanimidamide (PubChem CID 16718483) has the molecular formula C20H15ClFN3O and a molecular weight of 367.81 g/mol. Its IUPAC name is N-(4-chloroanilino)-N'-(3-fluorophenyl)-2-oxo-2-phenylethanimidamide.

Molecular Properties

Compound NameN-(4-chloroanilino)-N'-(3-fluorophenyl)-2-oxo-2-phenylethanimidamide
PubChem CID16718483
Molecular FormulaC20H15ClFN3O
Molecular Weight367.81 g/mol
Exact Mass367.09
IUPAC NameN-(4-chloroanilino)-N'-(3-fluorophenyl)-2-oxo-2-phenylethanimidamide
SMILESO=C(/C(=N/c1cccc(F)c1)NNc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H15ClFN3O/c21-15-9-11-17(12-10-15)24-25-20(19(26)14-5-2-1-3-6-14)23-18-8-4-7-16(22)13-18/h1-13,24H,(H,23,25)
InChIKeyLIPSUPROKTUISE-UHFFFAOYSA-N
XLogP5.01
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.81
LogP ≤ 55.01
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-(4-chloroanilino)-N'-(3-fluorophenyl)-2-oxo-2-phenylethanimidamide?
The IUPAC name of N-(4-chloroanilino)-N'-(3-fluorophenyl)-2-oxo-2-phenylethanimidamide (CID 16718483) is N-(4-chloroanilino)-N'-(3-fluorophenyl)-2-oxo-2-phenylethanimidamide.
What is the SMILES notation for N-(4-chloroanilino)-N'-(3-fluorophenyl)-2-oxo-2-phenylethanimidamide?
The canonical SMILES for N-(4-chloroanilino)-N'-(3-fluorophenyl)-2-oxo-2-phenylethanimidamide is O=C(/C(=N/c1cccc(F)c1)NNc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-(4-chloroanilino)-N'-(3-fluorophenyl)-2-oxo-2-phenylethanimidamide?
The InChIKey is LIPSUPROKTUISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O/c21-15-9-11-17(12-10-15)24-25-20(19(26)14-5-2-1-3-6-14)23-18-8-4-7-16(22)13-18/h1-13,24H,(H,23,25).
What are the key properties of N-(4-chloroanilino)-N'-(3-fluorophenyl)-2-oxo-2-phenylethanimidamide?
N-(4-chloroanilino)-N'-(3-fluorophenyl)-2-oxo-2-phenylethanimidamide has a molecular weight of 367.81 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloroanilino)-N'-(3-fluorophenyl)-2-oxo-2-phenylethanimidamide is sourced from PubChem (CID 16718483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).