1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea

C15H21FN2O3 — CID 40881806

IUPAC1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
SMILESO=C(NCCCOC[C@@H]1CCCO1)Nc1ccccc1F
InChIInChI=1S/C15H21FN2O3/c16-13-6-1-2-7-14(13)18-15(19)17-8-4-9-20-11-12-5-3-10-21-12/h1-2,6-7,12H,3-5,8-11H2,(H2,17,18,19)/t12-/m0/s1
InChIKeyRYJVFTWZNZXZFX-LBPRGKRZSA-N
MW296.34 g/mol
LogP2.53
Rot. Bonds7

About 1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea

1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea (PubChem CID 40881806) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
PubChem CID40881806
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
SMILESO=C(NCCCOC[C@@H]1CCCO1)Nc1ccccc1F
InChIInChI=1S/C15H21FN2O3/c16-13-6-1-2-7-14(13)18-15(19)17-8-4-9-20-11-12-5-3-10-21-12/h1-2,6-7,12H,3-5,8-11H2,(H2,17,18,19)/t12-/m0/s1
InChIKeyRYJVFTWZNZXZFX-LBPRGKRZSA-N
XLogP2.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 27734061
1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 18101613
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
1-(4-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40798942
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
1-(3-chlorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 17423697
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40881802
1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 24588095
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
CID 61251530
2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 79791073

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea (CID 40881806) is 1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea is O=C(NCCCOC[C@@H]1CCCO1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea?
The InChIKey is RYJVFTWZNZXZFX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21FN2O3/c16-13-6-1-2-7-14(13)18-15(19)17-8-4-9-20-11-12-5-3-10-21-12/h1-2,6-7,12H,3-5,8-11H2,(H2,17,18,19)/t12-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea?
1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea has a molecular weight of 296.34 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea is sourced from PubChem (CID 40881806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).