1-[[1-(4-fluorophenyl)pyrrole-2-carbonyl]amino]-3-phenylurea

C18H15FN4O2 — CID 2740989

IUPAC1-[[1-(4-fluorophenyl)pyrrole-2-carbonyl]amino]-3-phenylurea
SMILESO=C(NNC(=O)c1cccn1-c1ccc(F)cc1)Nc1ccccc1
InChIInChI=1S/C18H15FN4O2/c19-13-8-10-15(11-9-13)23-12-4-7-16(23)17(24)21-22-18(25)20-14-5-2-1-3-6-14/h1-12H,(H,21,24)(H2,20,22,25)
InChIKeyJKLIHCFYFIHOTJ-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.08
Rot. Bonds3

About 1-[[1-(4-fluorophenyl)pyrrole-2-carbonyl]amino]-3-phenylurea

1-[[1-(4-fluorophenyl)pyrrole-2-carbonyl]amino]-3-phenylurea (PubChem CID 2740989) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)pyrrole-2-carbonyl]amino]-3-phenylurea.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)pyrrole-2-carbonyl]amino]-3-phenylurea
PubChem CID2740989
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name1-[[1-(4-fluorophenyl)pyrrole-2-carbonyl]amino]-3-phenylurea
SMILESO=C(NNC(=O)c1cccn1-c1ccc(F)cc1)Nc1ccccc1
InChIInChI=1S/C18H15FN4O2/c19-13-8-10-15(11-9-13)23-12-4-7-16(23)17(24)21-22-18(25)20-14-5-2-1-3-6-14/h1-12H,(H,21,24)(H2,20,22,25)
InChIKeyJKLIHCFYFIHOTJ-UHFFFAOYSA-N
XLogP3.08
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)pyrrole-2-carbonyl]amino]-3-phenylurea?
The IUPAC name of 1-[[1-(4-fluorophenyl)pyrrole-2-carbonyl]amino]-3-phenylurea (CID 2740989) is 1-[[1-(4-fluorophenyl)pyrrole-2-carbonyl]amino]-3-phenylurea.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)pyrrole-2-carbonyl]amino]-3-phenylurea?
The canonical SMILES for 1-[[1-(4-fluorophenyl)pyrrole-2-carbonyl]amino]-3-phenylurea is O=C(NNC(=O)c1cccn1-c1ccc(F)cc1)Nc1ccccc1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)pyrrole-2-carbonyl]amino]-3-phenylurea?
The InChIKey is JKLIHCFYFIHOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-13-8-10-15(11-9-13)23-12-4-7-16(23)17(24)21-22-18(25)20-14-5-2-1-3-6-14/h1-12H,(H,21,24)(H2,20,22,25).
What are the key properties of 1-[[1-(4-fluorophenyl)pyrrole-2-carbonyl]amino]-3-phenylurea?
1-[[1-(4-fluorophenyl)pyrrole-2-carbonyl]amino]-3-phenylurea has a molecular weight of 338.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)pyrrole-2-carbonyl]amino]-3-phenylurea is sourced from PubChem (CID 2740989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).