1-[2-(3,5-difluorophenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea

C18H20F2N2O2 — CID 110911386

IUPAC1-[2-(3,5-difluorophenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESO=C(NCCc1cc(F)cc(F)c1)NC(CO)Cc1ccccc1
InChIInChI=1S/C18H20F2N2O2/c19-15-8-14(9-16(20)11-15)6-7-21-18(24)22-17(12-23)10-13-4-2-1-3-5-13/h1-5,8-9,11,17,23H,6-7,10,12H2,(H2,21,22,24)
InChIKeyHFZBFQPMXHQWKU-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.41
Rot. Bonds7

About 1-[2-(3,5-difluorophenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea

1-[2-(3,5-difluorophenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea (PubChem CID 110911386) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
PubChem CID110911386
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-[2-(3,5-difluorophenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESO=C(NCCc1cc(F)cc(F)c1)NC(CO)Cc1ccccc1
InChIInChI=1S/C18H20F2N2O2/c19-15-8-14(9-16(20)11-15)6-7-21-18(24)22-17(12-23)10-13-4-2-1-3-5-13/h1-5,8-9,11,17,23H,6-7,10,12H2,(H2,21,22,24)
InChIKeyHFZBFQPMXHQWKU-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The IUPAC name of 1-[2-(3,5-difluorophenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea (CID 110911386) is 1-[2-(3,5-difluorophenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-[2-(3,5-difluorophenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The canonical SMILES for 1-[2-(3,5-difluorophenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea is O=C(NCCc1cc(F)cc(F)c1)NC(CO)Cc1ccccc1.
What is the InChIKey of 1-[2-(3,5-difluorophenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The InChIKey is HFZBFQPMXHQWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c19-15-8-14(9-16(20)11-15)6-7-21-18(24)22-17(12-23)10-13-4-2-1-3-5-13/h1-5,8-9,11,17,23H,6-7,10,12H2,(H2,21,22,24).
What are the key properties of 1-[2-(3,5-difluorophenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
1-[2-(3,5-difluorophenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)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-(3,5-difluorophenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea is sourced from PubChem (CID 110911386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).