1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea

C16H23FN2O — CID 110469941

IUPAC1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea
SMILESCC(C)(C)NC(=O)NC1(c2ccccc2F)CCCC1
InChIInChI=1S/C16H23FN2O/c1-15(2,3)18-14(20)19-16(10-6-7-11-16)12-8-4-5-9-13(12)17/h4-5,8-9H,6-7,10-11H2,1-3H3,(H2,18,19,20)
InChIKeyQSEQENJEXNUZAC-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.69
Rot. Bonds2

About 1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea

1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea (PubChem CID 110469941) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea
PubChem CID110469941
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea
SMILESCC(C)(C)NC(=O)NC1(c2ccccc2F)CCCC1
InChIInChI=1S/C16H23FN2O/c1-15(2,3)18-14(20)19-16(10-6-7-11-16)12-8-4-5-9-13(12)17/h4-5,8-9H,6-7,10-11H2,1-3H3,(H2,18,19,20)
InChIKeyQSEQENJEXNUZAC-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea?
The IUPAC name of 1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea (CID 110469941) is 1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea?
The canonical SMILES for 1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea is CC(C)(C)NC(=O)NC1(c2ccccc2F)CCCC1.
What is the InChIKey of 1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea?
The InChIKey is QSEQENJEXNUZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-15(2,3)18-14(20)19-16(10-6-7-11-16)12-8-4-5-9-13(12)17/h4-5,8-9H,6-7,10-11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea?
1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea has a molecular weight of 278.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea is sourced from PubChem (CID 110469941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).