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

C18H20F2N2O2 — CID 111118085

IUPAC1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea
SMILESO=C(NCCc1ccc(F)cc1F)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H20F2N2O2/c19-15-7-6-14(17(20)11-15)8-9-21-18(24)22-12-16(23)10-13-4-2-1-3-5-13/h1-7,11,16,23H,8-10,12H2,(H2,21,22,24)
InChIKeyJUBFYJPPFLFFSQ-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.41
Rot. Bonds7

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

1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea (PubChem CID 111118085) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea
PubChem CID111118085
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea
SMILESO=C(NCCc1ccc(F)cc1F)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H20F2N2O2/c19-15-7-6-14(17(20)11-15)8-9-21-18(24)22-12-16(23)10-13-4-2-1-3-5-13/h1-7,11,16,23H,8-10,12H2,(H2,21,22,24)
InChIKeyJUBFYJPPFLFFSQ-UHFFFAOYSA-N
XLogP2.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea
CID 110775874
1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111338565
1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
CID 110018886
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111538524
4-[[3-(3-fluorophenyl)-2-hydroxypropyl]carbamoylamino]butanoic acid
CID 122021939
3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea
CID 124851445
1-[(4-fluoro-3-methylphenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937008
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893413
S-phenyl N-[2-(2,4-difluorophenyl)ethyl]carbamothioate
CID 19986428
N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789003
N-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide
CID 50960253
1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937061

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea (CID 111118085) is 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea is O=C(NCCc1ccc(F)cc1F)NCC(O)Cc1ccccc1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea?
The InChIKey is JUBFYJPPFLFFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c19-15-7-6-14(17(20)11-15)8-9-21-18(24)22-12-16(23)10-13-4-2-1-3-5-13/h1-7,11,16,23H,8-10,12H2,(H2,21,22,24).
What are the key properties of 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea?
1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea has a molecular weight of 334.37 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 111118085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).