1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea

C17H18F2N2O — CID 24818673

IUPAC1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O/c18-14-9-10-16(15(19)12-14)21-17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H2,20,21,22)
InChIKeyZTDVSTGEPRPMAY-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.11
Rot. Bonds6

About 1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea

1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea (PubChem CID 24818673) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
PubChem CID24818673
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O/c18-14-9-10-16(15(19)12-14)21-17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H2,20,21,22)
InChIKeyZTDVSTGEPRPMAY-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea
CID 47050815
1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 46647390
1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea
CID 107302722
1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea
CID 103918695
1-(2,4-difluorophenyl)-3-[2-(4-phenylmethoxyphenyl)ethyl]urea
CID 141080201
1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea
CID 108871644
N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide
CID 87114822
1-(3-cyanopropyl)-3-(2,4-difluorophenyl)urea
CID 62667576
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea
CID 108990499
1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 46457511
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-(4-phenylbutyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea (CID 24818673) is 1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea is O=C(NCCCCc1ccccc1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea?
The InChIKey is ZTDVSTGEPRPMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c18-14-9-10-16(15(19)12-14)21-17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H2,20,21,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea?
1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea has a molecular weight of 304.34 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea is sourced from PubChem (CID 24818673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).