1-(4-fluorophenyl)-3-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)urea

C19H19FN4O3 — CID 102156520

IUPAC1-(4-fluorophenyl)-3-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)urea
SMILESO=C1Cc2cc(N3CCOCC3)c(NC(=O)Nc3ccc(F)cc3)cc2N1
InChIInChI=1S/C19H19FN4O3/c20-13-1-3-14(4-2-13)21-19(26)23-16-11-15-12(10-18(25)22-15)9-17(16)24-5-7-27-8-6-24/h1-4,9,11H,5-8,10H2,(H,22,25)(H2,21,23,26)
InChIKeyVECAIPCZEFAITK-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.80
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)urea

1-(4-fluorophenyl)-3-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)urea (PubChem CID 102156520) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)urea
PubChem CID102156520
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name1-(4-fluorophenyl)-3-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)urea
SMILESO=C1Cc2cc(N3CCOCC3)c(NC(=O)Nc3ccc(F)cc3)cc2N1
InChIInChI=1S/C19H19FN4O3/c20-13-1-3-14(4-2-13)21-19(26)23-16-11-15-12(10-18(25)22-15)9-17(16)24-5-7-27-8-6-24/h1-4,9,11H,5-8,10H2,(H,22,25)(H2,21,23,26)
InChIKeyVECAIPCZEFAITK-UHFFFAOYSA-N
XLogP2.80
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-[4-(4-methyl-1-piperazinyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232134
N-[1,3-Dimethyl-2-oxo-6-(piperidin-1-YL)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2-phenylacetamide
CID 22433053
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide
CID 15989978
1-(4-Fluoro-benzyl)-2-oxo-2,3-dihydro-1H-benzoimidazole-5-carboxylic acid [4-(4-ethyl-piperazin-1-yl)-phenyl]-amide
CID 3232133
N-[1,3-Dimethyl-6-(morpholin-4-YL)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2,6-difluorobenzamide
CID 15989982
N-[1,3-Dimethyl-2-oxo-6-(piperidin-1-YL)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2,6-difluorobenzamide
CID 15990254
N-[1,3-Dimethyl-6-(morpholin-4-YL)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2-methylbenzamide
CID 15990292
N-[1,3-Dimethyl-6-(morpholin-4-YL)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-4-fluorobenzamide
CID 24789802
N1-(4-Fluorophenyl)-N4-[3-(morpholin-4-YL)propyl]-2,3-dihydro-1H-indole-1,4-dicarboxamide
CID 53160110
N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide
CID 162662893
N-(3,4-difluorobenzyl)-1-(2-ethoxyethyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide
CID 70705260
1-(3-Butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea
CID 102156523

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)urea (CID 102156520) is 1-(4-fluorophenyl)-3-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)urea is O=C1Cc2cc(N3CCOCC3)c(NC(=O)Nc3ccc(F)cc3)cc2N1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)urea?
The InChIKey is VECAIPCZEFAITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c20-13-1-3-14(4-2-13)21-19(26)23-16-11-15-12(10-18(25)22-15)9-17(16)24-5-7-27-8-6-24/h1-4,9,11H,5-8,10H2,(H,22,25)(H2,21,23,26).
What are the key properties of 1-(4-fluorophenyl)-3-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)urea?
1-(4-fluorophenyl)-3-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)urea has a molecular weight of 370.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)urea is sourced from PubChem (CID 102156520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).