[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea

C12H10ClN3O2 — CID 5412189

IUPAC[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
SMILESNC(=O)N/N=C\c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C12H10ClN3O2/c13-10-4-2-1-3-9(10)11-6-5-8(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7-
InChIKeyVIHWNPSAAVIVJJ-CHHVJCJISA-N
MW263.68 g/mol
LogP2.60
Rot. Bonds3

About [(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea

[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea (PubChem CID 5412189) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is [(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
PubChem CID5412189
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
SMILESNC(=O)N/N=C\c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C12H10ClN3O2/c13-10-4-2-1-3-9(10)11-6-5-8(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7-
InChIKeyVIHWNPSAAVIVJJ-CHHVJCJISA-N
XLogP2.60
TPSA80.62 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 ≤ 52.60
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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Related Compounds

[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 21235204
methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 740775
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 947493
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 5409337
2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 97312608
[(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea
CID 30105868
[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea
CID 126206866
methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6888698
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide
CID 5431725
[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
CID 14174868
1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
CID 1101255
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 5433274

Frequently Asked Questions

What is the IUPAC name of [(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea?
The IUPAC name of [(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea (CID 5412189) is [(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea?
The canonical SMILES for [(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea is NC(=O)N/N=C\c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of [(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea?
The InChIKey is VIHWNPSAAVIVJJ-CHHVJCJISA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-10-4-2-1-3-9(10)11-6-5-8(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7-.
What are the key properties of [(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea?
[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea has a molecular weight of 263.68 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea is sourced from PubChem (CID 5412189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).