1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea

C12H17FN2O2 — CID 62734848

IUPAC1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
SMILESCCC(C)(O)CNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-3-12(2,17)8-14-11(16)15-10-6-4-5-9(13)7-10/h4-7,17H,3,8H2,1-2H3,(H2,14,15,16)
InChIKeyUWWYRSNAHVUSQC-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.11
Rot. Bonds4

About 1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea

1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea (PubChem CID 62734848) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
PubChem CID62734848
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
SMILESCCC(C)(O)CNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-3-12(2,17)8-14-11(16)15-10-6-4-5-9(13)7-10/h4-7,17H,3,8H2,1-2H3,(H2,14,15,16)
InChIKeyUWWYRSNAHVUSQC-UHFFFAOYSA-N
XLogP2.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-hydroxy-2-methylbutyl]-3-phenylurea
CID 94797729
N-[[3-[[(2S)-2-hydroxy-2-methylbutyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
CID 95168016
1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea
CID 94799282
1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea
CID 94798731
1-(4-chlorophenyl)-3-[(2R)-2-hydroxy-2-methylbutyl]urea
CID 94797935
1-(4-chlorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
CID 47093325
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(3-methylphenyl)urea
CID 90501186
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 90501203
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798
1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 90501196
N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808
1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea
CID 111119363

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea (CID 62734848) is 1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea is CCC(C)(O)CNC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea?
The InChIKey is UWWYRSNAHVUSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-3-12(2,17)8-14-11(16)15-10-6-4-5-9(13)7-10/h4-7,17H,3,8H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea?
1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea has a molecular weight of 240.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 62734848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).