1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea

C18H20F2N2O2 — CID 112976375

IUPAC1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)NCCOc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O2/c1-12(2)13-3-5-14(6-4-13)22-18(23)21-9-10-24-15-7-8-16(19)17(20)11-15/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22,23)
InChIKeyXPHWYOKDCQHVKN-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.29
Rot. Bonds6

About 1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea

1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 112976375) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
PubChem CID112976375
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)NCCOc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O2/c1-12(2)13-3-5-14(6-4-13)22-18(23)21-9-10-24-15-7-8-16(19)17(20)11-15/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22,23)
InChIKeyXPHWYOKDCQHVKN-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-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976389
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560
1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea
CID 112971005
1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 86807501
N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 3810433
1-[2-(3,4-difluorophenoxy)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 112976378
1-(2,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976444
1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976443
1-[2-(3,4-difluorophenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112976455
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-[2-(3,4-difluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112976406

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea (CID 112976375) is 1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea is CC(C)c1ccc(NC(=O)NCCOc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is XPHWYOKDCQHVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-12(2)13-3-5-14(6-4-13)22-18(23)21-9-10-24-15-7-8-16(19)17(20)11-15/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea?
1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)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-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 112976375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).