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

C11H15F2N3O — CID 970934

IUPAC1-(2,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H15F2N3O/c1-16(2)6-5-14-11(17)15-10-4-3-8(12)7-9(10)13/h3-4,7H,5-6H2,1-2H3,(H2,14,15,17)
InChIKeyPRQBMYQBZXQFPX-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.65
Rot. Bonds4

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

1-(2,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]urea (PubChem CID 970934) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]urea
PubChem CID970934
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name1-(2,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H15F2N3O/c1-16(2)6-5-14-11(17)15-10-4-3-8(12)7-9(10)13/h3-4,7H,5-6H2,1-2H3,(H2,14,15,17)
InChIKeyPRQBMYQBZXQFPX-UHFFFAOYSA-N
XLogP1.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]urea (CID 970934) is 1-(2,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]urea is CN(C)CCNC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]urea?
The InChIKey is PRQBMYQBZXQFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-16(2)6-5-14-11(17)15-10-4-3-8(12)7-9(10)13/h3-4,7H,5-6H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]urea?
1-(2,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]urea has a molecular weight of 243.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 970934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).