1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea

C16H23F2N3O2 — CID 42938134

IUPAC1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
SMILESCC(C)C(CNC(=O)Nc1ccc(F)cc1F)N1CCOCC1
InChIInChI=1S/C16H23F2N3O2/c1-11(2)15(21-5-7-23-8-6-21)10-19-16(22)20-14-4-3-12(17)9-13(14)18/h3-4,9,11,15H,5-8,10H2,1-2H3,(H2,19,20,22)
InChIKeyXENKAYRVGZAJOE-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.44
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea

1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea (PubChem CID 42938134) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
PubChem CID42938134
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
SMILESCC(C)C(CNC(=O)Nc1ccc(F)cc1F)N1CCOCC1
InChIInChI=1S/C16H23F2N3O2/c1-11(2)15(21-5-7-23-8-6-21)10-19-16(22)20-14-4-3-12(17)9-13(14)18/h3-4,9,11,15H,5-8,10H2,1-2H3,(H2,19,20,22)
InChIKeyXENKAYRVGZAJOE-UHFFFAOYSA-N
XLogP2.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea
CID 51116711
1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea
CID 75449677
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea
CID 24664998
1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)cyclopropane-1-carboxamide
CID 134003398
1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 86986663
1-(2-fluoro-4-methylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86987160
4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide
CID 32627981
N-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide
CID 86988320
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(2,4-difluorophenyl)urea
CID 62668202
1-(2,4-difluorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912997
5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide
CID 167837572
N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835584

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea (CID 42938134) is 1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea is CC(C)C(CNC(=O)Nc1ccc(F)cc1F)N1CCOCC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea?
The InChIKey is XENKAYRVGZAJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c1-11(2)15(21-5-7-23-8-6-21)10-19-16(22)20-14-4-3-12(17)9-13(14)18/h3-4,9,11,15H,5-8,10H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea?
1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea has a molecular weight of 327.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea is sourced from PubChem (CID 42938134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).