1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea

C23H26FN3O3 — CID 86880842

IUPAC1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea
SMILESO=C(NCC(=O)N1CCc2ccccc21)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C23H26FN3O3/c24-19-6-3-5-18(14-19)23(9-12-30-13-10-23)16-26-22(29)25-15-21(28)27-11-8-17-4-1-2-7-20(17)27/h1-7,14H,8-13,15-16H2,(H2,25,26,29)
InChIKeyCOBNABDMEVAIFL-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.76
Rot. Bonds5

About 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea (PubChem CID 86880842) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea
PubChem CID86880842
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea
SMILESO=C(NCC(=O)N1CCc2ccccc21)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C23H26FN3O3/c24-19-6-3-5-18(14-19)23(9-12-30-13-10-23)16-26-22(29)25-15-21(28)27-11-8-17-4-1-2-7-20(17)27/h1-7,14H,8-13,15-16H2,(H2,25,26,29)
InChIKeyCOBNABDMEVAIFL-UHFFFAOYSA-N
XLogP2.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea with MolForge

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
CID 29406171
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111185568
1-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea
CID 86896048
1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one
CID 109034782
4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 71886816
N-[2-(3-fluorophenyl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 108901276
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylbenzamide
CID 110370767
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[(4-phenyloxan-4-yl)methyl]urea
CID 86984557
(4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 113280547
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)urea
CID 46383502

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea (CID 86880842) is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea is O=C(NCC(=O)N1CCc2ccccc21)NCC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea?
The InChIKey is COBNABDMEVAIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c24-19-6-3-5-18(14-19)23(9-12-30-13-10-23)16-26-22(29)25-15-21(28)27-11-8-17-4-1-2-7-20(17)27/h1-7,14H,8-13,15-16H2,(H2,25,26,29).
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea?
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea has a molecular weight of 411.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea is sourced from PubChem (CID 86880842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).