1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea

C15H21FN2O3 — CID 18101613

IUPAC1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
SMILESO=C(NCCCOCC1CCCO1)Nc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3/c16-12-4-6-13(7-5-12)18-15(19)17-8-2-9-20-11-14-3-1-10-21-14/h4-7,14H,1-3,8-11H2,(H2,17,18,19)
InChIKeyJTJADQVRCIXYHQ-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.53
Rot. Bonds7

About 1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea

1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea (PubChem CID 18101613) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
PubChem CID18101613
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
SMILESO=C(NCCCOCC1CCCO1)Nc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3/c16-12-4-6-13(7-5-12)18-15(19)17-8-2-9-20-11-14-3-1-10-21-14/h4-7,14H,1-3,8-11H2,(H2,17,18,19)
InChIKeyJTJADQVRCIXYHQ-UHFFFAOYSA-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-(4-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40798942
1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
CID 40881806
N-(4-fluorophenyl)-2-[[N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111407882
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-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
CID 95595268
1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 27734061
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea
CID 47148470
4-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoylamino]butanoic acid
CID 122079897
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 78817984

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea (CID 18101613) is 1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea is O=C(NCCCOCC1CCCO1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea?
The InChIKey is JTJADQVRCIXYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c16-12-4-6-13(7-5-12)18-15(19)17-8-2-9-20-11-14-3-1-10-21-14/h4-7,14H,1-3,8-11H2,(H2,17,18,19).
What are the key properties of 1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea?
1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)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-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea is sourced from PubChem (CID 18101613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).