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

C15H21FN2O — CID 110469730

IUPAC1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
SMILESCC(C)(NC(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O/c1-15(2,11-7-9-12(16)10-8-11)18-14(19)17-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeyMQRFIEBBONXTFQ-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.30
Rot. Bonds3

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

1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea (PubChem CID 110469730) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
PubChem CID110469730
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
SMILESCC(C)(NC(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O/c1-15(2,11-7-9-12(16)10-8-11)18-14(19)17-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeyMQRFIEBBONXTFQ-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea (CID 110469730) is 1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea is CC(C)(NC(=O)NC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea?
The InChIKey is MQRFIEBBONXTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-15(2,11-7-9-12(16)10-8-11)18-14(19)17-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea?
1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea has a molecular weight of 264.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea is sourced from PubChem (CID 110469730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).