1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea

C18H20F2N2O2 — CID 112972335

IUPAC1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCC(C)c1ccccc1OCCNC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H20F2N2O2/c1-12(2)14-5-3-4-6-17(14)24-10-9-21-18(23)22-13-7-8-15(19)16(20)11-13/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22,23)
InChIKeyGBAFJLLPRQNHSX-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.29
Rot. Bonds6

About 1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea

1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea (PubChem CID 112972335) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
PubChem CID112972335
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCC(C)c1ccccc1OCCNC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H20F2N2O2/c1-12(2)14-5-3-4-6-17(14)24-10-9-21-18(23)22-13-7-8-15(19)16(20)11-13/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22,23)
InChIKeyGBAFJLLPRQNHSX-UHFFFAOYSA-N
XLogP4.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.29
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-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972279
1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972292
1-(3-cyanophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972330
1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974535
1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972269
N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide
CID 72873722
1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 112976375
1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea
CID 112971005
1-[2-(3,4-difluorophenoxy)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 112976378
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
1-(3,5-dimethylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970237
4-[2-(2-propan-2-ylphenoxy)ethylcarbamoylamino]butanoic acid
CID 122001770

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea (CID 112972335) is 1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea is CC(C)c1ccccc1OCCNC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is GBAFJLLPRQNHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-12(2)14-5-3-4-6-17(14)24-10-9-21-18(23)22-13-7-8-15(19)16(20)11-13/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 334.37 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 112972335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).