3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea

C15H23FN2O2 — CID 97223641

IUPAC3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
SMILESC[C@H](Cc1ccc(F)cc1)NC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C15H23FN2O2/c1-11(9-12-5-7-13(16)8-6-12)17-14(19)18(4)10-15(2,3)20/h5-8,11,20H,9-10H2,1-4H3,(H,17,19)/t11-/m1/s1
InChIKeyJGRKBSHQJPKPBY-LLVKDONJSA-N
MW282.36 g/mol
LogP2.17
Rot. Bonds5

About 3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea

3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea (PubChem CID 97223641) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea.

Molecular Properties

Compound Name3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
PubChem CID97223641
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
SMILESC[C@H](Cc1ccc(F)cc1)NC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C15H23FN2O2/c1-11(9-12-5-7-13(16)8-6-12)17-14(19)18(4)10-15(2,3)20/h5-8,11,20H,9-10H2,1-4H3,(H,17,19)/t11-/m1/s1
InChIKeyJGRKBSHQJPKPBY-LLVKDONJSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 97223741
4-[1-(4-fluorophenyl)propan-2-ylcarbamoyl-methylamino]butanoic acid
CID 62995451
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
(2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid
CID 104902445
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 76981965
(3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide
CID 95213981
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
CID 78919872
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-2-methylpentanamide
CID 63008242
1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one
CID 79389969
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 62994798
(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 63009308
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012581

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The IUPAC name of 3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea (CID 97223641) is 3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea.
What is the SMILES notation for 3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The canonical SMILES for 3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea is C[C@H](Cc1ccc(F)cc1)NC(=O)N(C)CC(C)(C)O.
What is the InChIKey of 3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The InChIKey is JGRKBSHQJPKPBY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-11(9-12-5-7-13(16)8-6-12)17-14(19)18(4)10-15(2,3)20/h5-8,11,20H,9-10H2,1-4H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea has a molecular weight of 282.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea is sourced from PubChem (CID 97223641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).