1-(4-fluorophenyl)-3-octadecylurea

C25H43FN2O — CID 4518520

IUPAC1-(4-fluorophenyl)-3-octadecylurea
SMILESCCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H43FN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(29)28-24-20-18-23(26)19-21-24/h18-21H,2-17,22H2,1H3,(H2,27,28,29)
InChIKeyWXHGQPOOSRXKGB-UHFFFAOYSA-N
MW406.63 g/mol
LogP8.21
Rot. Bonds18

About 1-(4-fluorophenyl)-3-octadecylurea

1-(4-fluorophenyl)-3-octadecylurea (PubChem CID 4518520) has the molecular formula C25H43FN2O and a molecular weight of 406.63 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-octadecylurea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-octadecylurea
PubChem CID4518520
Molecular FormulaC25H43FN2O
Molecular Weight406.63 g/mol
Exact Mass406.34
IUPAC Name1-(4-fluorophenyl)-3-octadecylurea
SMILESCCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H43FN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(29)28-24-20-18-23(26)19-21-24/h18-21H,2-17,22H2,1H3,(H2,27,28,29)
InChIKeyWXHGQPOOSRXKGB-UHFFFAOYSA-N
XLogP8.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.63
LogP ≤ 58.21
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-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-dodecyl-3-phenylurea
CID 3697946
7-[(4-fluorophenyl)carbamoylamino]heptanoic acid
CID 24689965
1-(4-methylsulfanylphenyl)-3-pentylurea
CID 21064485
1-(4-fluorophenyl)-3-pentylthiourea
CID 19650686
1-octadecyl-3-[4-[[4-(octadecylamino)phenyl]methyl]phenyl]urea
CID 176858089
1-[4-(diethylamino)phenyl]-3-hexylurea
CID 71323969
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
N-[4-(tetradecylcarbamoylamino)phenyl]benzamide
CID 24820448
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389
1-[4-[4-(4-hydroxyphenoxy)phenoxy]phenyl]-3-octadecylurea
CID 18183904
1-[(4-fluorophenyl)methyl]-3-pentylurea
CID 38154712

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-octadecylurea?
The IUPAC name of 1-(4-fluorophenyl)-3-octadecylurea (CID 4518520) is 1-(4-fluorophenyl)-3-octadecylurea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-octadecylurea?
The canonical SMILES for 1-(4-fluorophenyl)-3-octadecylurea is CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-octadecylurea?
The InChIKey is WXHGQPOOSRXKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43FN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(29)28-24-20-18-23(26)19-21-24/h18-21H,2-17,22H2,1H3,(H2,27,28,29).
What are the key properties of 1-(4-fluorophenyl)-3-octadecylurea?
1-(4-fluorophenyl)-3-octadecylurea has a molecular weight of 406.63 g/mol, XLogP of 8.21, 18 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-octadecylurea is sourced from PubChem (CID 4518520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).