1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea

C18H21FN2O2 — CID 112974631

IUPAC1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
SMILESCc1cc(C)c(OCCNC(=O)Nc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H21FN2O2/c1-12-10-13(2)17(14(3)11-12)23-9-8-20-18(22)21-16-6-4-15(19)5-7-16/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22)
InChIKeyVMQYTAQXHFNYQD-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.95
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea

1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea (PubChem CID 112974631) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
PubChem CID112974631
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
SMILESCc1cc(C)c(OCCNC(=O)Nc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H21FN2O2/c1-12-10-13(2)17(14(3)11-12)23-9-8-20-18(22)21-16-6-4-15(19)5-7-16/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22)
InChIKeyVMQYTAQXHFNYQD-UHFFFAOYSA-N
XLogP3.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974633
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243
1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974537
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112976199
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 112975532
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 61031635
1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974475
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974607
1-(3,5-dimethylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970237
1-[2-(dimethylamino)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974554

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea (CID 112974631) is 1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea is Cc1cc(C)c(OCCNC(=O)Nc2ccc(F)cc2)c(C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
The InChIKey is VMQYTAQXHFNYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12-10-13(2)17(14(3)11-12)23-9-8-20-18(22)21-16-6-4-15(19)5-7-16/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea has a molecular weight of 316.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112974631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).