1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea

C15H11ClFN3O3 — CID 108908008

IUPAC1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClFN3O3/c16-13-6-5-12(9-14(13)20(22)23)19-15(21)18-8-7-10-1-3-11(17)4-2-10/h1-9H,(H2,18,19,21)/b8-7+
InChIKeyOCCRBHZYSZKMKU-BQYQJAHWSA-N
MW335.72 g/mol
LogP4.18
Rot. Bonds4

About 1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea

1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea (PubChem CID 108908008) has the molecular formula C15H11ClFN3O3 and a molecular weight of 335.72 g/mol. Its IUPAC name is 1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
PubChem CID108908008
Molecular FormulaC15H11ClFN3O3
Molecular Weight335.72 g/mol
Exact Mass335.05
IUPAC Name1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClFN3O3/c16-13-6-5-12(9-14(13)20(22)23)19-15(21)18-8-7-10-1-3-11(17)4-2-10/h1-9H,(H2,18,19,21)/b8-7+
InChIKeyOCCRBHZYSZKMKU-BQYQJAHWSA-N
XLogP4.18
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.72
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907926
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2-nitrophenyl)urea
CID 108907912
N-(4-chloro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 3319160
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylurea
CID 108908068
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907908
N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 874270
N-(3-chloro-4-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 1327932
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea
CID 108906521
2-amino-N-(4-chloro-3-nitrophenyl)-4-fluorobenzamide
CID 63110248
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea (CID 108908008) is 1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea is O=C(N/C=C/c1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The InChIKey is OCCRBHZYSZKMKU-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H11ClFN3O3/c16-13-6-5-12(9-14(13)20(22)23)19-15(21)18-8-7-10-1-3-11(17)4-2-10/h1-9H,(H2,18,19,21)/b8-7+.
What are the key properties of 1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea has a molecular weight of 335.72 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108908008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).