1-(4-chlorophenyl)-3-[3-(3-nitrophenyl)phenyl]urea

C19H14ClN3O3 — CID 135376388

IUPAC1-(4-chlorophenyl)-3-[3-(3-nitrophenyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H14ClN3O3/c20-15-7-9-16(10-8-15)21-19(24)22-17-5-1-3-13(11-17)14-4-2-6-18(12-14)23(25)26/h1-12H,(H2,21,22,24)
InChIKeyJSKYMIIYLFUZTE-UHFFFAOYSA-N
MW367.79 g/mol
LogP5.56
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[3-(3-nitrophenyl)phenyl]urea

1-(4-chlorophenyl)-3-[3-(3-nitrophenyl)phenyl]urea (PubChem CID 135376388) has the molecular formula C19H14ClN3O3 and a molecular weight of 367.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(3-nitrophenyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(3-nitrophenyl)phenyl]urea
PubChem CID135376388
Molecular FormulaC19H14ClN3O3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC Name1-(4-chlorophenyl)-3-[3-(3-nitrophenyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H14ClN3O3/c20-15-7-9-16(10-8-15)21-19(24)22-17-5-1-3-13(11-17)14-4-2-6-18(12-14)23(25)26/h1-12H,(H2,21,22,24)
InChIKeyJSKYMIIYLFUZTE-UHFFFAOYSA-N
XLogP5.56
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.79
LogP ≤ 55.56
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(3-nitrophenyl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(3-nitrophenyl)phenyl]urea (CID 135376388) is 1-(4-chlorophenyl)-3-[3-(3-nitrophenyl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(3-nitrophenyl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(3-nitrophenyl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(3-nitrophenyl)phenyl]urea?
The InChIKey is JSKYMIIYLFUZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3/c20-15-7-9-16(10-8-15)21-19(24)22-17-5-1-3-13(11-17)14-4-2-6-18(12-14)23(25)26/h1-12H,(H2,21,22,24).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(3-nitrophenyl)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(3-nitrophenyl)phenyl]urea has a molecular weight of 367.79 g/mol, XLogP of 5.56, 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-[3-(3-nitrophenyl)phenyl]urea is sourced from PubChem (CID 135376388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).