3-[2-(2,5-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea

C20H24F2N2O2 — CID 124844294

IUPAC3-[2-(2,5-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea
SMILESCOC[C@@H](Cc1ccccc1)N(C)C(=O)NCCc1cc(F)ccc1F
InChIInChI=1S/C20H24F2N2O2/c1-24(18(14-26-2)12-15-6-4-3-5-7-15)20(25)23-11-10-16-13-17(21)8-9-19(16)22/h3-9,13,18H,10-12,14H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyFYXBQDQPFVMXFQ-GOSISDBHSA-N
MW362.42 g/mol
LogP3.41
Rot. Bonds8

About 3-[2-(2,5-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea

3-[2-(2,5-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea (PubChem CID 124844294) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is 3-[2-(2,5-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea.

Molecular Properties

Compound Name3-[2-(2,5-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea
PubChem CID124844294
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC Name3-[2-(2,5-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea
SMILESCOC[C@@H](Cc1ccccc1)N(C)C(=O)NCCc1cc(F)ccc1F
InChIInChI=1S/C20H24F2N2O2/c1-24(18(14-26-2)12-15-6-4-3-5-7-15)20(25)23-11-10-16-13-17(21)8-9-19(16)22/h3-9,13,18H,10-12,14H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyFYXBQDQPFVMXFQ-GOSISDBHSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea?
The IUPAC name of 3-[2-(2,5-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea (CID 124844294) is 3-[2-(2,5-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea.
What is the SMILES notation for 3-[2-(2,5-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea?
The canonical SMILES for 3-[2-(2,5-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea is COC[C@@H](Cc1ccccc1)N(C)C(=O)NCCc1cc(F)ccc1F.
What is the InChIKey of 3-[2-(2,5-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea?
The InChIKey is FYXBQDQPFVMXFQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-24(18(14-26-2)12-15-6-4-3-5-7-15)20(25)23-11-10-16-13-17(21)8-9-19(16)22/h3-9,13,18H,10-12,14H2,1-2H3,(H,23,25)/t18-/m1/s1.
What are the key properties of 3-[2-(2,5-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea?
3-[2-(2,5-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea has a molecular weight of 362.42 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea is sourced from PubChem (CID 124844294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).