1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea

C22H23F2N3O — CID 54003214

IUPAC1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
SMILESCn1cc(C2(CN(C(N)=O)c3ccc(F)cc3F)CCCC2)c2ccccc21
InChIInChI=1S/C22H23F2N3O/c1-26-13-17(16-6-2-3-7-19(16)26)22(10-4-5-11-22)14-27(21(25)28)20-9-8-15(23)12-18(20)24/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3,(H2,25,28)
InChIKeyKNBKTKNRYLRETO-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.85
Rot. Bonds4

About 1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea

1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea (PubChem CID 54003214) has the molecular formula C22H23F2N3O and a molecular weight of 383.44 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
PubChem CID54003214
Molecular FormulaC22H23F2N3O
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC Name1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
SMILESCn1cc(C2(CN(C(N)=O)c3ccc(F)cc3F)CCCC2)c2ccccc21
InChIInChI=1S/C22H23F2N3O/c1-26-13-17(16-6-2-3-7-19(16)26)22(10-4-5-11-22)14-27(21(25)28)20-9-8-15(23)12-18(20)24/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3,(H2,25,28)
InChIKeyKNBKTKNRYLRETO-UHFFFAOYSA-N
XLogP4.85
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea (CID 54003214) is 1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea is Cn1cc(C2(CN(C(N)=O)c3ccc(F)cc3F)CCCC2)c2ccccc21.
What is the InChIKey of 1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea?
The InChIKey is KNBKTKNRYLRETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O/c1-26-13-17(16-6-2-3-7-19(16)26)22(10-4-5-11-22)14-27(21(25)28)20-9-8-15(23)12-18(20)24/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3,(H2,25,28).
What are the key properties of 1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea?
1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea has a molecular weight of 383.44 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea is sourced from PubChem (CID 54003214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).