1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea

C18H20F2N2O2 — CID 47050815

IUPAC1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea
SMILESO=C(NCCCOCCc1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2O2/c19-15-7-8-17(16(20)13-15)22-18(23)21-10-4-11-24-12-9-14-5-2-1-3-6-14/h1-3,5-8,13H,4,9-12H2,(H2,21,22,23)
InChIKeyFYPUXESUARZWOD-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.74
Rot. Bonds8

About 1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea

1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea (PubChem CID 47050815) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea
PubChem CID47050815
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea
SMILESO=C(NCCCOCCc1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2O2/c19-15-7-8-17(16(20)13-15)22-18(23)21-10-4-11-24-12-9-14-5-2-1-3-6-14/h1-3,5-8,13H,4,9-12H2,(H2,21,22,23)
InChIKeyFYPUXESUARZWOD-UHFFFAOYSA-N
XLogP3.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
CID 24818673
1-(2,4-difluorophenyl)-3-[2-(4-phenylmethoxyphenyl)ethyl]urea
CID 141080201
1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea
CID 52666869
1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 46647390
1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 46457511
1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888
1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea
CID 107302722
1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea
CID 103918695
3-fluoro-4-(3-propoxypropylcarbamoylamino)benzoic acid
CID 82942345
1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 24588095
1-(3-cyanopropyl)-3-(2,4-difluorophenyl)urea
CID 62667576
4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149008

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea (CID 47050815) is 1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea is O=C(NCCCOCCc1ccccc1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea?
The InChIKey is FYPUXESUARZWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c19-15-7-8-17(16(20)13-15)22-18(23)21-10-4-11-24-12-9-14-5-2-1-3-6-14/h1-3,5-8,13H,4,9-12H2,(H2,21,22,23).
What are the key properties of 1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea?
1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea has a molecular weight of 334.37 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea is sourced from PubChem (CID 47050815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).