1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea

C14H21FN2O — CID 110754997

IUPAC1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea
SMILESCC(C)(C)CNC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-14(2,3)10-17-13(18)16-9-8-11-4-6-12(15)7-5-11/h4-7H,8-10H2,1-3H3,(H2,16,17,18)
InChIKeyFURRGWALIHKKIN-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.71
Rot. Bonds4

About 1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea

1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea (PubChem CID 110754997) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea
PubChem CID110754997
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea
SMILESCC(C)(C)CNC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-14(2,3)10-17-13(18)16-9-8-11-4-6-12(15)7-5-11/h4-7H,8-10H2,1-3H3,(H2,16,17,18)
InChIKeyFURRGWALIHKKIN-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 115575958
1-(2,2-dimethylpropyl)-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 110776095
1-(2,2-dimethylpropyl)-3-[2-(4-propan-2-ylsulfonylphenyl)ethyl]urea
CID 110776126
1-(2,2-dimethylpropyl)-3-[2-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 110775671
1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea
CID 110675926
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 51654985
1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915195
1-[2-(4-fluorophenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910401
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide
CID 65265022
6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid
CID 61182399

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea (CID 110754997) is 1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea is CC(C)(C)CNC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea?
The InChIKey is FURRGWALIHKKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-14(2,3)10-17-13(18)16-9-8-11-4-6-12(15)7-5-11/h4-7H,8-10H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea?
1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea has a molecular weight of 252.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 110754997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).