1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea

C15H23FN2O2 — CID 95969358

IUPAC1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea
SMILESCC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N[C@@H](C)CO
InChIInChI=1S/C15H23FN2O2/c1-10(2)14(18-15(20)17-11(3)9-19)8-12-4-6-13(16)7-5-12/h4-7,10-11,14,19H,8-9H2,1-3H3,(H2,17,18,20)/t11-,14-/m0/s1
InChIKeyBSLGGJMVNLALGO-FZMZJTMJSA-N
MW282.36 g/mol
LogP2.07
Rot. Bonds6

About 1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea

1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea (PubChem CID 95969358) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea.

Molecular Properties

Compound Name1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea
PubChem CID95969358
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea
SMILESCC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N[C@@H](C)CO
InChIInChI=1S/C15H23FN2O2/c1-10(2)14(18-15(20)17-11(3)9-19)8-12-4-6-13(16)7-5-12/h4-7,10-11,14,19H,8-9H2,1-3H3,(H2,17,18,20)/t11-,14-/m0/s1
InChIKeyBSLGGJMVNLALGO-FZMZJTMJSA-N
XLogP2.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea with MolForge

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Related Compounds

1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619079
2-[1-(4-fluorophenyl)propan-2-ylcarbamoylamino]propanoic acid
CID 62997070
N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2H-triazole-4-carboxamide
CID 95782733
N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide
CID 71993281
3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418758
1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 95969362
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 111751267
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012581
(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 63009308
1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea
CID 91651956
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
(3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide
CID 95213981

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea?
The IUPAC name of 1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea (CID 95969358) is 1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea.
What is the SMILES notation for 1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea?
The canonical SMILES for 1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea is CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N[C@@H](C)CO.
What is the InChIKey of 1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea?
The InChIKey is BSLGGJMVNLALGO-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10(2)14(18-15(20)17-11(3)9-19)8-12-4-6-13(16)7-5-12/h4-7,10-11,14,19H,8-9H2,1-3H3,(H2,17,18,20)/t11-,14-/m0/s1.
What are the key properties of 1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea?
1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea has a molecular weight of 282.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea is sourced from PubChem (CID 95969358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).