1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea

C15H21FN2O2 — CID 111507674

IUPAC1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)NC1CCCC1c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c16-12-7-5-11(6-8-12)13-3-1-4-14(13)18-15(20)17-9-2-10-19/h5-8,13-14,19H,1-4,9-10H2,(H2,17,18,20)
InChIKeyRURAVYYLRZEQCR-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.14
Rot. Bonds5

About 1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea

1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea (PubChem CID 111507674) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea
PubChem CID111507674
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)NC1CCCC1c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c16-12-7-5-11(6-8-12)13-3-1-4-14(13)18-15(20)17-9-2-10-19/h5-8,13-14,19H,1-4,9-10H2,(H2,17,18,20)
InChIKeyRURAVYYLRZEQCR-UHFFFAOYSA-N
XLogP2.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 97077943
1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
CID 47764322
1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea
CID 111104441
1-cyclobutyl-3-(3-hydroxypropyl)urea
CID 115642270
1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 94797733
1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 71868285
(2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide
CID 124856355
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3-hydroxypropyl)urea
CID 43970296
1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
CID 86843833
(3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide
CID 100652811
N-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 124845421
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-hydroxypropyl)urea
CID 108908089

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea (CID 111507674) is 1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea is O=C(NCCCO)NC1CCCC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea?
The InChIKey is RURAVYYLRZEQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-12-7-5-11(6-8-12)13-3-1-4-14(13)18-15(20)17-9-2-10-19/h5-8,13-14,19H,1-4,9-10H2,(H2,17,18,20).
What are the key properties of 1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea?
1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea has a molecular weight of 280.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 111507674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).