1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea

C18H13ClFN3O2 — CID 126027035

IUPAC1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea
SMILESO=C(N/N=C/c1ccc(-c2cccc(F)c2)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClFN3O2/c19-13-4-6-15(7-5-13)22-18(24)23-21-11-16-8-9-17(25-16)12-2-1-3-14(20)10-12/h1-11H,(H2,22,23,24)/b21-11+
InChIKeyPNPHHKIVINZBNW-SRZZPIQSSA-N
MW357.77 g/mol
LogP4.89
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea

1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea (PubChem CID 126027035) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea
PubChem CID126027035
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea
SMILESO=C(N/N=C/c1ccc(-c2cccc(F)c2)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClFN3O2/c19-13-4-6-15(7-5-13)22-18(24)23-21-11-16-8-9-17(25-16)12-2-1-3-14(20)10-12/h1-11H,(H2,22,23,24)/b21-11+
InChIKeyPNPHHKIVINZBNW-SRZZPIQSSA-N
XLogP4.89
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.89
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

N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 94837463
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 4244827
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 26074510
N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 3705958
5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 126027660
1-(4-fluorophenyl)-3-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea
CID 2725401
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
CID 29227500
2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126021004
1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 1379769
2-(4-chloroanilino)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126371391
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2831961
4-chloro-3-[5-[(E)-(phenylcarbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 172958492

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea (CID 126027035) is 1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea is O=C(N/N=C/c1ccc(-c2cccc(F)c2)o1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea?
The InChIKey is PNPHHKIVINZBNW-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c19-13-4-6-15(7-5-13)22-18(24)23-21-11-16-8-9-17(25-16)12-2-1-3-14(20)10-12/h1-11H,(H2,22,23,24)/b21-11+.
What are the key properties of 1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea?
1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea has a molecular weight of 357.77 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea is sourced from PubChem (CID 126027035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).