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

C17H25FN2O — CID 113216151

IUPAC1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
SMILESCC(C)(NC(=O)NC1CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-17(2,13-9-11-14(18)12-10-13)20-16(21)19-15-7-5-3-4-6-8-15/h9-12,15H,3-8H2,1-2H3,(H2,19,20,21)
InChIKeyUVRQDAGSNJYAEC-UHFFFAOYSA-N
MW292.40 g/mol
LogP4.08
Rot. Bonds3

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

1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea (PubChem CID 113216151) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
PubChem CID113216151
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
SMILESCC(C)(NC(=O)NC1CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-17(2,13-9-11-14(18)12-10-13)20-16(21)19-15-7-5-3-4-6-8-15/h9-12,15H,3-8H2,1-2H3,(H2,19,20,21)
InChIKeyUVRQDAGSNJYAEC-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 110469730
1-cycloheptyl-3-(2-phenylpropan-2-yl)urea
CID 110469316
1-cyclododecyl-3-(trifluoromethyl)urea
CID 108865906
N-cyclohexyl-4-[2-(4-fluorophenyl)propan-2-yl]-2,6-dihydroxybenzamide
CID 164538947
N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide
CID 110490552
1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 17387309
1-cyclohexyl-3-(3-ethylpentan-3-yl)urea
CID 115660907
N-[2-(4-fluorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 110462380
1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
CID 115588349
2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid
CID 61266736
1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 82931291
N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea?
The IUPAC name of 1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea (CID 113216151) is 1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea.
What is the SMILES notation for 1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea?
The canonical SMILES for 1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea is CC(C)(NC(=O)NC1CCCCCC1)c1ccc(F)cc1.
What is the InChIKey of 1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea?
The InChIKey is UVRQDAGSNJYAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-17(2,13-9-11-14(18)12-10-13)20-16(21)19-15-7-5-3-4-6-8-15/h9-12,15H,3-8H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea?
1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea has a molecular weight of 292.40 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea is sourced from PubChem (CID 113216151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).