1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea

C21H23F2N3O2 — CID 51134217

IUPAC1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
SMILESCC(C)Cn1ccc2cc(NC(=O)NCC(O)c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C21H23F2N3O2/c1-13(2)12-26-8-7-14-9-16(4-6-19(14)26)25-21(28)24-11-20(27)15-3-5-17(22)18(23)10-15/h3-10,13,20,27H,11-12H2,1-2H3,(H2,24,25,28)
InChIKeyULVPEIWAVBQXTD-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.43
Rot. Bonds6

About 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea

1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea (PubChem CID 51134217) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
PubChem CID51134217
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC Name1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
SMILESCC(C)Cn1ccc2cc(NC(=O)NCC(O)c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C21H23F2N3O2/c1-13(2)12-26-8-7-14-9-16(4-6-19(14)26)25-21(28)24-11-20(27)15-3-5-17(22)18(23)10-15/h3-10,13,20,27H,11-12H2,1-2H3,(H2,24,25,28)
InChIKeyULVPEIWAVBQXTD-UHFFFAOYSA-N
XLogP4.43
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56528086
N-(2-hydroxypropyl)-N'-[1-(2-methylpropyl)indol-5-yl]oxamide
CID 111435467
1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 42959006
1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea
CID 124855662
N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide
CID 86889809
1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea
CID 56528070
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 111976911
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
ethyl 2-[6-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]carbamoylamino]indazol-1-yl]acetate
CID 95153712
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
1-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)urea
CID 95130185
N'-(3-chloro-4-fluorophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 91817742

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea?
The IUPAC name of 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea (CID 51134217) is 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea is CC(C)Cn1ccc2cc(NC(=O)NCC(O)c3ccc(F)c(F)c3)ccc21.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea?
The InChIKey is ULVPEIWAVBQXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-13(2)12-26-8-7-14-9-16(4-6-19(14)26)25-21(28)24-11-20(27)15-3-5-17(22)18(23)10-15/h3-10,13,20,27H,11-12H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea?
1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea has a molecular weight of 387.43 g/mol, XLogP of 4.43, 6 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-[1-(2-methylpropyl)indol-5-yl]urea is sourced from PubChem (CID 51134217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).