1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea

C15H19FN2O2 — CID 128682857

IUPAC1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea
SMILESO=C(N[C@H]1CCCOC1)N[C@@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C15H19FN2O2/c16-13-6-2-1-5-11(13)12-8-14(12)18-15(19)17-10-4-3-7-20-9-10/h1-2,5-6,10,12,14H,3-4,7-9H2,(H2,17,18,19)/t10-,12-,14+/m0/s1
InChIKeyZNRWVJDKNLIXCF-VHRBIJSZSA-N
MW278.33 g/mol
LogP2.16
Rot. Bonds3

About 1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea

1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea (PubChem CID 128682857) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea
PubChem CID128682857
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea
SMILESO=C(N[C@H]1CCCOC1)N[C@@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C15H19FN2O2/c16-13-6-2-1-5-11(13)12-8-14(12)18-15(19)17-10-4-3-7-20-9-10/h1-2,5-6,10,12,14H,3-4,7-9H2,(H2,17,18,19)/t10-,12-,14+/m0/s1
InChIKeyZNRWVJDKNLIXCF-VHRBIJSZSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630928
1-[2-(2-fluorophenyl)cyclopropyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111104264
1-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 98848171
1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea
CID 111104275
2-bromo-6-fluoro-N-[(3S)-oxan-3-yl]benzamide
CID 97221363
1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111435093
1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea
CID 111422308
N-(oxan-3-yl)-2-phenoxyacetamide
CID 142540024
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
CID 138998311
4,5-difluoro-2-(oxan-3-ylcarbamoylamino)benzoic acid
CID 63361376
1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111104265
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136936

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea?
The IUPAC name of 1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea (CID 128682857) is 1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea.
What is the SMILES notation for 1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea?
The canonical SMILES for 1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea is O=C(N[C@H]1CCCOC1)N[C@@H]1C[C@H]1c1ccccc1F.
What is the InChIKey of 1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea?
The InChIKey is ZNRWVJDKNLIXCF-VHRBIJSZSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-13-6-2-1-5-11(13)12-8-14(12)18-15(19)17-10-4-3-7-20-9-10/h1-2,5-6,10,12,14H,3-4,7-9H2,(H2,17,18,19)/t10-,12-,14+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea?
1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea has a molecular weight of 278.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea is sourced from PubChem (CID 128682857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).