1-[5-(dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea

C24H29FN4O2 — CID 122184158

IUPAC1-[5-(dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea
SMILESC=CCC1C(=O)Nc2cc(NC(=O)Nc3ccc(F)cc3)c(N(CCC)CCC)cc21
InChIInChI=1S/C24H29FN4O2/c1-4-7-18-19-14-22(29(12-5-2)13-6-3)21(15-20(19)27-23(18)30)28-24(31)26-17-10-8-16(25)9-11-17/h4,8-11,14-15,18H,1,5-7,12-13H2,2-3H3,(H,27,30)(H2,26,28,31)
InChIKeyYHFKNYFCQNTYJN-UHFFFAOYSA-N
MW424.52 g/mol
LogP5.71
Rot. Bonds9

About 1-[5-(dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea

1-[5-(dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea (PubChem CID 122184158) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 1-[5-(dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[5-(dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea
PubChem CID122184158
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Name1-[5-(dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea
SMILESC=CCC1C(=O)Nc2cc(NC(=O)Nc3ccc(F)cc3)c(N(CCC)CCC)cc21
InChIInChI=1S/C24H29FN4O2/c1-4-7-18-19-14-22(29(12-5-2)13-6-3)21(15-20(19)27-23(18)30)28-24(31)26-17-10-8-16(25)9-11-17/h4,8-11,14-15,18H,1,5-7,12-13H2,2-3H3,(H,27,30)(H2,26,28,31)
InChIKeyYHFKNYFCQNTYJN-UHFFFAOYSA-N
XLogP5.71
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[5-(dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea (CID 122184158) is 1-[5-(dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[5-(dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[5-(dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea is C=CCC1C(=O)Nc2cc(NC(=O)Nc3ccc(F)cc3)c(N(CCC)CCC)cc21.
What is the InChIKey of 1-[5-(dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea?
The InChIKey is YHFKNYFCQNTYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-4-7-18-19-14-22(29(12-5-2)13-6-3)21(15-20(19)27-23(18)30)28-24(31)26-17-10-8-16(25)9-11-17/h4,8-11,14-15,18H,1,5-7,12-13H2,2-3H3,(H,27,30)(H2,26,28,31).
What are the key properties of 1-[5-(dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea?
1-[5-(dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea has a molecular weight of 424.52 g/mol, XLogP of 5.71, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 122184158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).