1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea

C16H23FN2O — CID 41327503

IUPAC1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea
SMILESCC(C)[C@H](NC(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O/c1-11(2)15(12-7-9-13(17)10-8-12)19-16(20)18-14-5-3-4-6-14/h7-11,14-15H,3-6H2,1-2H3,(H2,18,19,20)/t15-/m0/s1
InChIKeyKTLKHSBAKIJORY-HNNXBMFYSA-N
MW278.37 g/mol
LogP3.76
Rot. Bonds4

About 1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea

1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea (PubChem CID 41327503) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea
PubChem CID41327503
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea
SMILESCC(C)[C@H](NC(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O/c1-11(2)15(12-7-9-13(17)10-8-12)19-16(20)18-14-5-3-4-6-14/h7-11,14-15H,3-6H2,1-2H3,(H2,18,19,20)/t15-/m0/s1
InChIKeyKTLKHSBAKIJORY-HNNXBMFYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(oxan-4-yl)urea
CID 129370926
N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813
1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 56930892
1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
CID 115588349
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133689
N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 43703517
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea
CID 38268942
2-chloro-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea (CID 41327503) is 1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea is CC(C)[C@H](NC(=O)NC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea?
The InChIKey is KTLKHSBAKIJORY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11(2)15(12-7-9-13(17)10-8-12)19-16(20)18-14-5-3-4-6-14/h7-11,14-15H,3-6H2,1-2H3,(H2,18,19,20)/t15-/m0/s1.
What are the key properties of 1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea?
1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea has a molecular weight of 278.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea is sourced from PubChem (CID 41327503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).