1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea

C24H22FN3O3 — CID 60614581

IUPAC1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccccc1F)Nc1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H22FN3O3/c25-20-10-3-2-9-19(20)22(29)15-26-24(31)27-18-8-5-7-17(14-18)23(30)28-13-12-16-6-1-4-11-21(16)28/h1-11,14,22,29H,12-13,15H2,(H2,26,27,31)
InChIKeyZZRLLXUFXDPANV-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.88
Rot. Bonds5

About 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea

1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 60614581) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID60614581
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC Name1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccccc1F)Nc1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H22FN3O3/c25-20-10-3-2-9-19(20)22(29)15-26-24(31)27-18-8-5-7-17(14-18)23(30)28-13-12-16-6-1-4-11-21(16)28/h1-11,14,22,29H,12-13,15H2,(H2,26,27,31)
InChIKeyZZRLLXUFXDPANV-UHFFFAOYSA-N
XLogP3.88
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea (CID 60614581) is 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea is O=C(NCC(O)c1ccccc1F)Nc1cccc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is ZZRLLXUFXDPANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c25-20-10-3-2-9-19(20)22(29)15-26-24(31)27-18-8-5-7-17(14-18)23(30)28-13-12-16-6-1-4-11-21(16)28/h1-11,14,22,29H,12-13,15H2,(H2,26,27,31).
What are the key properties of 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 419.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 60614581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).