3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea

C20H24F2N2O2 — CID 124851445

IUPAC3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea
SMILESCOC[C@@H](Cc1ccccc1)N(C)C(=O)NCCc1ccc(F)cc1F
InChIInChI=1S/C20H24F2N2O2/c1-24(18(14-26-2)12-15-6-4-3-5-7-15)20(25)23-11-10-16-8-9-17(21)13-19(16)22/h3-9,13,18H,10-12,14H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeySGYPYXGNXNVPQJ-GOSISDBHSA-N
MW362.42 g/mol
LogP3.41
Rot. Bonds8

About 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea

3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea (PubChem CID 124851445) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea
PubChem CID124851445
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC Name3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea
SMILESCOC[C@@H](Cc1ccccc1)N(C)C(=O)NCCc1ccc(F)cc1F
InChIInChI=1S/C20H24F2N2O2/c1-24(18(14-26-2)12-15-6-4-3-5-7-15)20(25)23-11-10-16-8-9-17(21)13-19(16)22/h3-9,13,18H,10-12,14H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeySGYPYXGNXNVPQJ-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

Analyze 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea with MolForge

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Related Compounds

1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea
CID 124843918
1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 111118085
N-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide
CID 124849312
1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea
CID 110775874
N-[4-[[[(1-methoxy-3-phenylpropan-2-yl)-methylcarbamoyl]amino]methyl]phenyl]acetamide
CID 119045779
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111538524
1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 51324617
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
CID 86931400
N-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 115663744
S-phenyl N-[2-(2,4-difluorophenyl)ethyl]carbamothioate
CID 19986428
N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789003
2-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 110767149

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea?
The IUPAC name of 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea (CID 124851445) is 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea is COC[C@@H](Cc1ccccc1)N(C)C(=O)NCCc1ccc(F)cc1F.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea?
The InChIKey is SGYPYXGNXNVPQJ-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)23-11-10-16-8-9-17(21)13-19(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-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea?
3-[2-(2,4-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-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea is sourced from PubChem (CID 124851445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).