3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea

C16H23FN2O3 — CID 110010868

IUPAC3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea
SMILESCC(CO)N(C)C(=O)Nc1ccc(F)cc1OC1CCCC1
InChIInChI=1S/C16H23FN2O3/c1-11(10-20)19(2)16(21)18-14-8-7-12(17)9-15(14)22-13-5-3-4-6-13/h7-9,11,13,20H,3-6,10H2,1-2H3,(H,18,21)
InChIKeyDULKJJWSRWADKR-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.99
Rot. Bonds5

About 3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea

3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea (PubChem CID 110010868) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea.

Molecular Properties

Compound Name3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea
PubChem CID110010868
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea
SMILESCC(CO)N(C)C(=O)Nc1ccc(F)cc1OC1CCCC1
InChIInChI=1S/C16H23FN2O3/c1-11(10-20)19(2)16(21)18-14-8-7-12(17)9-15(14)22-13-5-3-4-6-13/h7-9,11,13,20H,3-6,10H2,1-2H3,(H,18,21)
InChIKeyDULKJJWSRWADKR-UHFFFAOYSA-N
XLogP2.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea?
The IUPAC name of 3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea (CID 110010868) is 3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea.
What is the SMILES notation for 3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea?
The canonical SMILES for 3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea is CC(CO)N(C)C(=O)Nc1ccc(F)cc1OC1CCCC1.
What is the InChIKey of 3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea?
The InChIKey is DULKJJWSRWADKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-11(10-20)19(2)16(21)18-14-8-7-12(17)9-15(14)22-13-5-3-4-6-13/h7-9,11,13,20H,3-6,10H2,1-2H3,(H,18,21).
What are the key properties of 3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea?
3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea has a molecular weight of 310.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea is sourced from PubChem (CID 110010868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).