3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea

C20H24F3N3O — CID 55925361

IUPAC3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea
SMILESCC(NC(=O)N(CCN(C)C)Cc1ccccc1F)c1ccc(F)cc1F
InChIInChI=1S/C20H24F3N3O/c1-14(17-9-8-16(21)12-19(17)23)24-20(27)26(11-10-25(2)3)13-15-6-4-5-7-18(15)22/h4-9,12,14H,10-11,13H2,1-3H3,(H,24,27)
InChIKeyLGHWRSONQIVSBF-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.94
Rot. Bonds7

About 3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea

3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea (PubChem CID 55925361) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is 3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea
PubChem CID55925361
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea
SMILESCC(NC(=O)N(CCN(C)C)Cc1ccccc1F)c1ccc(F)cc1F
InChIInChI=1S/C20H24F3N3O/c1-14(17-9-8-16(21)12-19(17)23)24-20(27)26(11-10-25(2)3)13-15-6-4-5-7-18(15)22/h4-9,12,14H,10-11,13H2,1-3H3,(H,24,27)
InChIKeyLGHWRSONQIVSBF-UHFFFAOYSA-N
XLogP3.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea
CID 55931099
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60559227
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55980382
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
1-[1-(2,4-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924294
N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 16673637
N-[1-[1-(2,4-difluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 51150373
N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 110879965
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 8818396
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea (CID 55925361) is 3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea is CC(NC(=O)N(CCN(C)C)Cc1ccccc1F)c1ccc(F)cc1F.
What is the InChIKey of 3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea?
The InChIKey is LGHWRSONQIVSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c1-14(17-9-8-16(21)12-19(17)23)24-20(27)26(11-10-25(2)3)13-15-6-4-5-7-18(15)22/h4-9,12,14H,10-11,13H2,1-3H3,(H,24,27).
What are the key properties of 3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea?
3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea has a molecular weight of 379.43 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 55925361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).