1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea

C18H21FN2O2 — CID 112972279

IUPAC1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCC(C)c1ccccc1OCCNC(=O)Nc1ccccc1F
InChIInChI=1S/C18H21FN2O2/c1-13(2)14-7-3-6-10-17(14)23-12-11-20-18(22)21-16-9-5-4-8-15(16)19/h3-10,13H,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyYKRFQYUCMWVRIP-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.15
Rot. Bonds6

About 1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea

1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea (PubChem CID 112972279) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
PubChem CID112972279
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCC(C)c1ccccc1OCCNC(=O)Nc1ccccc1F
InChIInChI=1S/C18H21FN2O2/c1-13(2)14-7-3-6-10-17(14)23-12-11-20-18(22)21-16-9-5-4-8-15(16)19/h3-10,13H,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyYKRFQYUCMWVRIP-UHFFFAOYSA-N
XLogP4.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.15
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-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972335
1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 112971732
1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972269
1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea
CID 108883342
1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972292
1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972214
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 111435144
4-[2-(2-propan-2-ylphenoxy)ethylcarbamoylamino]butanoic acid
CID 122001770
1-[3-(dimethylamino)propyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972198
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165321
2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide
CID 119784411

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea (CID 112972279) is 1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea is CC(C)c1ccccc1OCCNC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is YKRFQYUCMWVRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13(2)14-7-3-6-10-17(14)23-12-11-20-18(22)21-16-9-5-4-8-15(16)19/h3-10,13H,11-12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 316.38 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 112972279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).