1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea

C18H17F2N3O2 — CID 111454971

IUPAC1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea
SMILESO=C(NCc1cc2ccccc2[nH]1)NCC(O)c1c(F)cccc1F
InChIInChI=1S/C18H17F2N3O2/c19-13-5-3-6-14(20)17(13)16(24)10-22-18(25)21-9-12-8-11-4-1-2-7-15(11)23-12/h1-8,16,23-24H,9-10H2,(H2,21,22,25)
InChIKeyISQFSKDVBCAVTP-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.98
Rot. Bonds5

About 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea

1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea (PubChem CID 111454971) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea
PubChem CID111454971
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea
SMILESO=C(NCc1cc2ccccc2[nH]1)NCC(O)c1c(F)cccc1F
InChIInChI=1S/C18H17F2N3O2/c19-13-5-3-6-14(20)17(13)16(24)10-22-18(25)21-9-12-8-11-4-1-2-7-15(11)23-12/h1-8,16,23-24H,9-10H2,(H2,21,22,25)
InChIKeyISQFSKDVBCAVTP-UHFFFAOYSA-N
XLogP2.98
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-5-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)urea
CID 86870795
1H-indol-2-ylmethylcarbamic acid
CID 68691362
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide
CID 111451520
1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 86904763
1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75521331
1-(2-hydroxy-2,5-dimethylhexyl)-3-(1H-indol-2-ylmethyl)urea
CID 111454969
2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide
CID 86286685
1-butyl-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450361
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1H-indol-2-ylmethyl)urea
CID 111505462
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea
CID 51128772
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
CID 111451432
(2S)-2-amino-N-(1H-indol-2-ylmethyl)-3,3-dimethylbutanamide
CID 90653128

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea?
The IUPAC name of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea (CID 111454971) is 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea is O=C(NCc1cc2ccccc2[nH]1)NCC(O)c1c(F)cccc1F.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea?
The InChIKey is ISQFSKDVBCAVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c19-13-5-3-6-14(20)17(13)16(24)10-22-18(25)21-9-12-8-11-4-1-2-7-15(11)23-12/h1-8,16,23-24H,9-10H2,(H2,21,22,25).
What are the key properties of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea?
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea has a molecular weight of 345.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea is sourced from PubChem (CID 111454971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).