1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea

C12H10ClN3O2 — CID 6863825

IUPAC1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea
SMILESO=C(N/N=C/c1ccco1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H10ClN3O2/c13-9-3-1-4-10(7-9)15-12(17)16-14-8-11-5-2-6-18-11/h1-8H,(H2,15,16,17)/b14-8+
InChIKeyNGVXMSPIQNGWFB-RIYZIHGNSA-N
MW263.68 g/mol
LogP3.09
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea

1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea (PubChem CID 6863825) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea
PubChem CID6863825
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea
SMILESO=C(N/N=C/c1ccco1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H10ClN3O2/c13-9-3-1-4-10(7-9)15-12(17)16-14-8-11-5-2-6-18-11/h1-8H,(H2,15,16,17)/b14-8+
InChIKeyNGVXMSPIQNGWFB-RIYZIHGNSA-N
XLogP3.09
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea (CID 6863825) is 1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea is O=C(N/N=C/c1ccco1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea?
The InChIKey is NGVXMSPIQNGWFB-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-9-3-1-4-10(7-9)15-12(17)16-14-8-11-5-2-6-18-11/h1-8H,(H2,15,16,17)/b14-8+.
What are the key properties of 1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea?
1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea has a molecular weight of 263.68 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea is sourced from PubChem (CID 6863825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).