1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea

C14H19FN2O2 — CID 54944714

IUPAC1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1ccc(F)cc1)N(CCO)C1CCCC1
InChIInChI=1S/C14H19FN2O2/c15-11-5-7-12(8-6-11)16-14(19)17(9-10-18)13-3-1-2-4-13/h5-8,13,18H,1-4,9-10H2,(H,16,19)
InChIKeyIFSVTWJIHRITMU-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.59
Rot. Bonds4

About 1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea

1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea (PubChem CID 54944714) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
PubChem CID54944714
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1ccc(F)cc1)N(CCO)C1CCCC1
InChIInChI=1S/C14H19FN2O2/c15-11-5-7-12(8-6-11)16-14(19)17(9-10-18)13-3-1-2-4-13/h5-8,13,18H,1-4,9-10H2,(H,16,19)
InChIKeyIFSVTWJIHRITMU-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 43429992
1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea
CID 63766530
3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea
CID 72932044
1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
CID 54999134
1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea
CID 43429980
5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 102865413
3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111476030
3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea
CID 102865027
2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865423
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(4-fluorophenyl)acetamide
CID 102848391
3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea
CID 102675463
1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-(2-hydroxyethyl)urea
CID 111107543

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea (CID 54944714) is 1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea is O=C(Nc1ccc(F)cc1)N(CCO)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea?
The InChIKey is IFSVTWJIHRITMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-11-5-7-12(8-6-11)16-14(19)17(9-10-18)13-3-1-2-4-13/h5-8,13,18H,1-4,9-10H2,(H,16,19).
What are the key properties of 1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea?
1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea has a molecular weight of 266.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 54944714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).