1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea

C15H22FN3O2 — CID 100639698

IUPAC1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea
SMILESCC[C@@H](CO)NC(=O)Nc1cc(F)cc(N2CCCC2)c1
InChIInChI=1S/C15H22FN3O2/c1-2-12(10-20)17-15(21)18-13-7-11(16)8-14(9-13)19-5-3-4-6-19/h7-9,12,20H,2-6,10H2,1H3,(H2,17,18,21)/t12-/m0/s1
InChIKeyYSUFDZCXYJQAOK-LBPRGKRZSA-N
MW295.36 g/mol
LogP2.32
Rot. Bonds5

About 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea

1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea (PubChem CID 100639698) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea
PubChem CID100639698
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea
SMILESCC[C@@H](CO)NC(=O)Nc1cc(F)cc(N2CCCC2)c1
InChIInChI=1S/C15H22FN3O2/c1-2-12(10-20)17-15(21)18-13-7-11(16)8-14(9-13)19-5-3-4-6-19/h7-9,12,20H,2-6,10H2,1H3,(H2,17,18,21)/t12-/m0/s1
InChIKeyYSUFDZCXYJQAOK-LBPRGKRZSA-N
XLogP2.32
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 97218514
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CID 138042070
1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71864282
1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108895499
1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea
CID 86799685
3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline
CID 115885020
1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 111452861
N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide
CID 86862541
1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]urea
CID 154864202
(3S)-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 52511309
1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 75379402
1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea?
The IUPAC name of 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea (CID 100639698) is 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea is CC[C@@H](CO)NC(=O)Nc1cc(F)cc(N2CCCC2)c1.
What is the InChIKey of 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea?
The InChIKey is YSUFDZCXYJQAOK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-2-12(10-20)17-15(21)18-13-7-11(16)8-14(9-13)19-5-3-4-6-19/h7-9,12,20H,2-6,10H2,1H3,(H2,17,18,21)/t12-/m0/s1.
What are the key properties of 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea?
1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea has a molecular weight of 295.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(2S)-1-hydroxybutan-2-yl]urea is sourced from PubChem (CID 100639698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).