1-(4-fluorophenyl)-3-[(3Z)-3-[(4-fluorophenyl)methylidene]-5-morpholin-4-yl-2-oxo-1H-indol-6-yl]urea

C26H22F2N4O3 — CID 122184166

IUPAC1-(4-fluorophenyl)-3-[(3Z)-3-[(4-fluorophenyl)methylidene]-5-morpholin-4-yl-2-oxo-1H-indol-6-yl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cc2c(cc1N1CCOCC1)/C(=C/c1ccc(F)cc1)C(=O)N2
InChIInChI=1S/C26H22F2N4O3/c27-17-3-1-16(2-4-17)13-21-20-14-24(32-9-11-35-12-10-32)23(15-22(20)30-25(21)33)31-26(34)29-19-7-5-18(28)6-8-19/h1-8,13-15H,9-12H2,(H,30,33)(H2,29,31,34)/b21-13-
InChIKeyWACUYTABSDLVNP-BKUYFWCQSA-N
MW476.48 g/mol
LogP4.94
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[(3Z)-3-[(4-fluorophenyl)methylidene]-5-morpholin-4-yl-2-oxo-1H-indol-6-yl]urea

1-(4-fluorophenyl)-3-[(3Z)-3-[(4-fluorophenyl)methylidene]-5-morpholin-4-yl-2-oxo-1H-indol-6-yl]urea (PubChem CID 122184166) has the molecular formula C26H22F2N4O3 and a molecular weight of 476.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(3Z)-3-[(4-fluorophenyl)methylidene]-5-morpholin-4-yl-2-oxo-1H-indol-6-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(3Z)-3-[(4-fluorophenyl)methylidene]-5-morpholin-4-yl-2-oxo-1H-indol-6-yl]urea
PubChem CID122184166
Molecular FormulaC26H22F2N4O3
Molecular Weight476.48 g/mol
Exact Mass476.17
IUPAC Name1-(4-fluorophenyl)-3-[(3Z)-3-[(4-fluorophenyl)methylidene]-5-morpholin-4-yl-2-oxo-1H-indol-6-yl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cc2c(cc1N1CCOCC1)/C(=C/c1ccc(F)cc1)C(=O)N2
InChIInChI=1S/C26H22F2N4O3/c27-17-3-1-16(2-4-17)13-21-20-14-24(32-9-11-35-12-10-32)23(15-22(20)30-25(21)33)31-26(34)29-19-7-5-18(28)6-8-19/h1-8,13-15H,9-12H2,(H,30,33)(H2,29,31,34)/b21-13-
InChIKeyWACUYTABSDLVNP-BKUYFWCQSA-N
XLogP4.94
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(3Z)-3-[(4-fluorophenyl)methylidene]-5-morpholin-4-yl-2-oxo-1H-indol-6-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(3Z)-3-[(4-fluorophenyl)methylidene]-5-morpholin-4-yl-2-oxo-1H-indol-6-yl]urea (CID 122184166) is 1-(4-fluorophenyl)-3-[(3Z)-3-[(4-fluorophenyl)methylidene]-5-morpholin-4-yl-2-oxo-1H-indol-6-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(3Z)-3-[(4-fluorophenyl)methylidene]-5-morpholin-4-yl-2-oxo-1H-indol-6-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(3Z)-3-[(4-fluorophenyl)methylidene]-5-morpholin-4-yl-2-oxo-1H-indol-6-yl]urea is O=C(Nc1ccc(F)cc1)Nc1cc2c(cc1N1CCOCC1)/C(=C/c1ccc(F)cc1)C(=O)N2.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(3Z)-3-[(4-fluorophenyl)methylidene]-5-morpholin-4-yl-2-oxo-1H-indol-6-yl]urea?
The InChIKey is WACUYTABSDLVNP-BKUYFWCQSA-N. The full InChI is InChI=1S/C26H22F2N4O3/c27-17-3-1-16(2-4-17)13-21-20-14-24(32-9-11-35-12-10-32)23(15-22(20)30-25(21)33)31-26(34)29-19-7-5-18(28)6-8-19/h1-8,13-15H,9-12H2,(H,30,33)(H2,29,31,34)/b21-13-.
What are the key properties of 1-(4-fluorophenyl)-3-[(3Z)-3-[(4-fluorophenyl)methylidene]-5-morpholin-4-yl-2-oxo-1H-indol-6-yl]urea?
1-(4-fluorophenyl)-3-[(3Z)-3-[(4-fluorophenyl)methylidene]-5-morpholin-4-yl-2-oxo-1H-indol-6-yl]urea has a molecular weight of 476.48 g/mol, XLogP of 4.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(3Z)-3-[(4-fluorophenyl)methylidene]-5-morpholin-4-yl-2-oxo-1H-indol-6-yl]urea is sourced from PubChem (CID 122184166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).