1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea

C16H23FN2O2 — CID 71868285

IUPAC1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea
SMILESO=C(NCCCc1cccc(F)c1)NC1CCCC1CO
InChIInChI=1S/C16H23FN2O2/c17-14-7-1-4-12(10-14)5-3-9-18-16(21)19-15-8-2-6-13(15)11-20/h1,4,7,10,13,15,20H,2-3,5-6,8-9,11H2,(H2,18,19,21)
InChIKeyDCJACNRBKOSXMK-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.22
Rot. Bonds6

About 1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea

1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea (PubChem CID 71868285) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea
PubChem CID71868285
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea
SMILESO=C(NCCCc1cccc(F)c1)NC1CCCC1CO
InChIInChI=1S/C16H23FN2O2/c17-14-7-1-4-12(10-14)5-3-9-18-16(21)19-15-8-2-6-13(15)11-20/h1,4,7,10,13,15,20H,2-3,5-6,8-9,11H2,(H2,18,19,21)
InChIKeyDCJACNRBKOSXMK-UHFFFAOYSA-N
XLogP2.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.22
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-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630412
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(3,4,5-trifluorophenyl)ethyl]urea
CID 110024755
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea
CID 75495361
1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631108
N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide
CID 106366080
1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103710023
(E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798358
1-butyl-3-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569161
4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid
CID 122002966
N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide
CID 111840919
1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 108911960
1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111455422

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea?
The IUPAC name of 1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea (CID 71868285) is 1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea.
What is the SMILES notation for 1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea?
The canonical SMILES for 1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea is O=C(NCCCc1cccc(F)c1)NC1CCCC1CO.
What is the InChIKey of 1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea?
The InChIKey is DCJACNRBKOSXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-14-7-1-4-12(10-14)5-3-9-18-16(21)19-15-8-2-6-13(15)11-20/h1,4,7,10,13,15,20H,2-3,5-6,8-9,11H2,(H2,18,19,21).
What are the key properties of 1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea?
1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea has a molecular weight of 294.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea is sourced from PubChem (CID 71868285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).