1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[4-(2,3-dihydroindol-1-yl)phenyl]urea

C23H21F2N3O2 — CID 55837106

IUPAC1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[4-(2,3-dihydroindol-1-yl)phenyl]urea
SMILESO=C(NCC(O)c1ccc(F)c(F)c1)Nc1ccc(N2CCc3ccccc32)cc1
InChIInChI=1S/C23H21F2N3O2/c24-19-10-5-16(13-20(19)25)22(29)14-26-23(30)27-17-6-8-18(9-7-17)28-12-11-15-3-1-2-4-21(15)28/h1-10,13,22,29H,11-12,14H2,(H2,26,27,30)
InChIKeySHFJFYPPLAXITQ-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.51
Rot. Bonds5

About 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[4-(2,3-dihydroindol-1-yl)phenyl]urea

1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[4-(2,3-dihydroindol-1-yl)phenyl]urea (PubChem CID 55837106) has the molecular formula C23H21F2N3O2 and a molecular weight of 409.44 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[4-(2,3-dihydroindol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[4-(2,3-dihydroindol-1-yl)phenyl]urea
PubChem CID55837106
Molecular FormulaC23H21F2N3O2
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[4-(2,3-dihydroindol-1-yl)phenyl]urea
SMILESO=C(NCC(O)c1ccc(F)c(F)c1)Nc1ccc(N2CCc3ccccc32)cc1
InChIInChI=1S/C23H21F2N3O2/c24-19-10-5-16(13-20(19)25)22(29)14-26-23(30)27-17-6-8-18(9-7-17)28-12-11-15-3-1-2-4-21(15)28/h1-10,13,22,29H,11-12,14H2,(H2,26,27,30)
InChIKeySHFJFYPPLAXITQ-UHFFFAOYSA-N
XLogP4.51
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 42959006
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide
CID 112986176
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 60614581
N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide
CID 112986182
N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38513895
1-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)urea
CID 95130185
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 51134217
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42960515
N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide
CID 112986213
N-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563725
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[4-(2,3-dihydroindol-1-yl)phenyl]urea?
The IUPAC name of 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[4-(2,3-dihydroindol-1-yl)phenyl]urea (CID 55837106) is 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[4-(2,3-dihydroindol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[4-(2,3-dihydroindol-1-yl)phenyl]urea?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[4-(2,3-dihydroindol-1-yl)phenyl]urea is O=C(NCC(O)c1ccc(F)c(F)c1)Nc1ccc(N2CCc3ccccc32)cc1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[4-(2,3-dihydroindol-1-yl)phenyl]urea?
The InChIKey is SHFJFYPPLAXITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O2/c24-19-10-5-16(13-20(19)25)22(29)14-26-23(30)27-17-6-8-18(9-7-17)28-12-11-15-3-1-2-4-21(15)28/h1-10,13,22,29H,11-12,14H2,(H2,26,27,30).
What are the key properties of 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[4-(2,3-dihydroindol-1-yl)phenyl]urea?
1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[4-(2,3-dihydroindol-1-yl)phenyl]urea has a molecular weight of 409.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[4-(2,3-dihydroindol-1-yl)phenyl]urea is sourced from PubChem (CID 55837106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).