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

C16H23FN2O — CID 115588349

IUPAC1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
SMILESCC(Cc1ccc(F)cc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H23FN2O/c1-12(11-13-7-9-14(17)10-8-13)18-16(20)19-15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H2,18,19,20)
InChIKeyRQKBBYKMPUJDMM-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.39
Rot. Bonds4

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

1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea (PubChem CID 115588349) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
PubChem CID115588349
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
SMILESCC(Cc1ccc(F)cc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H23FN2O/c1-12(11-13-7-9-14(17)10-8-13)18-16(20)19-15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H2,18,19,20)
InChIKeyRQKBBYKMPUJDMM-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium
CID 7406527
1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
CID 94594281
1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea
CID 41327503
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251726
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 154739654
2-[1-(4-fluorophenyl)propan-2-ylcarbamoylamino]propanoic acid
CID 62997070
(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide
CID 9251729
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
N-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 63010034
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 86769678

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea (CID 115588349) is 1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea is CC(Cc1ccc(F)cc1)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea?
The InChIKey is RQKBBYKMPUJDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12(11-13-7-9-14(17)10-8-13)18-16(20)19-15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea?
1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea has a molecular weight of 278.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea is sourced from PubChem (CID 115588349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).