1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea

C12H17FN2O2 — CID 94798731

IUPAC1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea
SMILESCC[C@](C)(O)CNC(=O)Nc1ccccc1F
InChIInChI=1S/C12H17FN2O2/c1-3-12(2,17)8-14-11(16)15-10-7-5-4-6-9(10)13/h4-7,17H,3,8H2,1-2H3,(H2,14,15,16)/t12-/m0/s1
InChIKeyFGOVMOGIAASPAP-LBPRGKRZSA-N
MW240.28 g/mol
LogP2.11
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea

1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea (PubChem CID 94798731) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea
PubChem CID94798731
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea
SMILESCC[C@](C)(O)CNC(=O)Nc1ccccc1F
InChIInChI=1S/C12H17FN2O2/c1-3-12(2,17)8-14-11(16)15-10-7-5-4-6-9(10)13/h4-7,17H,3,8H2,1-2H3,(H2,14,15,16)/t12-/m0/s1
InChIKeyFGOVMOGIAASPAP-LBPRGKRZSA-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-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
CID 95984547
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea
CID 94813267
1-(4-amino-2,2-dimethylbutyl)-3-(2-fluorophenyl)urea
CID 106141258
1-[(2S)-2-hydroxy-2-methylbutyl]-3-phenylurea
CID 94797729
1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
CID 62734848
1-(4-chlorophenyl)-3-[(2R)-2-hydroxy-2-methylbutyl]urea
CID 94797935
1-(4-chlorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
CID 47093325
4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001204
1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea
CID 66168207
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea
CID 56724275
1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea
CID 94799282
2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea (CID 94798731) is 1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea is CC[C@](C)(O)CNC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea?
The InChIKey is FGOVMOGIAASPAP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-3-12(2,17)8-14-11(16)15-10-7-5-4-6-9(10)13/h4-7,17H,3,8H2,1-2H3,(H2,14,15,16)/t12-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea?
1-(2-fluorophenyl)-3-[(2S)-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-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea is sourced from PubChem (CID 94798731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).