1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea

C18H20F2N2O2 — CID 111335690

IUPAC1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCC(NC(=O)NCC(C)(O)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2O2/c1-12(15-9-8-14(19)10-16(15)20)22-17(23)21-11-18(2,24)13-6-4-3-5-7-13/h3-10,12,24H,11H2,1-2H3,(H2,21,22,23)
InChIKeyGVSRDFDCOAAUGP-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.23
Rot. Bonds5

About 1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea

1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea (PubChem CID 111335690) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
PubChem CID111335690
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCC(NC(=O)NCC(C)(O)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2O2/c1-12(15-9-8-14(19)10-16(15)20)22-17(23)21-11-18(2,24)13-6-4-3-5-7-13/h3-10,12,24H,11H2,1-2H3,(H2,21,22,23)
InChIKeyGVSRDFDCOAAUGP-UHFFFAOYSA-N
XLogP3.23
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024335
1-[1-(2,4-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924294
1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea
CID 97245826
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113219964
1-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453811
1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 110879965
2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 8596226
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The IUPAC name of 1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea (CID 111335690) is 1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea is CC(NC(=O)NCC(C)(O)c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The InChIKey is GVSRDFDCOAAUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-12(15-9-8-14(19)10-16(15)20)22-17(23)21-11-18(2,24)13-6-4-3-5-7-13/h3-10,12,24H,11H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea?
1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea has a molecular weight of 334.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea is sourced from PubChem (CID 111335690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).