1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)urea

C17H24FN3O — CID 23609408

IUPAC1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)urea
SMILESO=C(NCC1CCN(C2CCCC2)C1)Nc1ccccc1F
InChIInChI=1S/C17H24FN3O/c18-15-7-3-4-8-16(15)20-17(22)19-11-13-9-10-21(12-13)14-5-1-2-6-14/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H2,19,20,22)
InChIKeyGKTSIKBOLBTDOP-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.21
Rot. Bonds4

About 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)urea

1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)urea (PubChem CID 23609408) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)urea
PubChem CID23609408
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)urea
SMILESO=C(NCC1CCN(C2CCCC2)C1)Nc1ccccc1F
InChIInChI=1S/C17H24FN3O/c18-15-7-3-4-8-16(15)20-17(22)19-11-13-9-10-21(12-13)14-5-1-2-6-14/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H2,19,20,22)
InChIKeyGKTSIKBOLBTDOP-UHFFFAOYSA-N
XLogP3.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-Dimethyl-3-(4-fluorophenyl)urea
CID 9514
N-Cyclopentyl-N'-phenylurea
CID 25740
N-phenylpyrrolidine-1-carboxamide
CID 791811
N,N-Diethyl-N'-phenylurea
CID 13906
1-Phenylimidazolidin-2-one
CID 255273
N-(2-fluorophenyl)-N'-methylurea
CID 676515
N-(4-fluorophenyl)-N'-(3-pyrrolidin-1-ylpropyl)urea
CID 2059381
1-Cyclohexyl-3-(4-fluorophenyl)urea
CID 292811
N-cyclohexyl-N'-(3,4-difluorophenyl)urea
CID 896465
1-Isobutyl-3-phenylurea
CID 282872
1,1-Diallyl-3-phenylurea
CID 765482
1,1-Diisopropyl-3-phenylurea
CID 791730

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)urea (CID 23609408) is 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)urea is O=C(NCC1CCN(C2CCCC2)C1)Nc1ccccc1F.
What is the InChIKey of 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)urea?
The InChIKey is GKTSIKBOLBTDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c18-15-7-3-4-8-16(15)20-17(22)19-11-13-9-10-21(12-13)14-5-1-2-6-14/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H2,19,20,22).
What are the key properties of 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)urea?
1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)urea has a molecular weight of 305.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 23609408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).