1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea

C13H17F2N3O — CID 103977256

IUPAC1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea
SMILESCC(NC(=O)Nc1ccc(F)cc1F)C1CCNC1
InChIInChI=1S/C13H17F2N3O/c1-8(9-4-5-16-7-9)17-13(19)18-12-3-2-10(14)6-11(12)15/h2-3,6,8-9,16H,4-5,7H2,1H3,(H2,17,18,19)
InChIKeyFNTJZLXGIXFHJB-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.08
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea

1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea (PubChem CID 103977256) has the molecular formula C13H17F2N3O and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea
PubChem CID103977256
Molecular FormulaC13H17F2N3O
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea
SMILESCC(NC(=O)Nc1ccc(F)cc1F)C1CCNC1
InChIInChI=1S/C13H17F2N3O/c1-8(9-4-5-16-7-9)17-13(19)18-12-3-2-10(14)6-11(12)15/h2-3,6,8-9,16H,4-5,7H2,1H3,(H2,17,18,19)
InChIKeyFNTJZLXGIXFHJB-UHFFFAOYSA-N
XLogP2.08
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea
CID 43523415
2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide
CID 103977159
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 113360884
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 167775279
2,5-difluoro-N-(1-piperidin-4-ylethyl)benzamide
CID 43523182
1-(2,4-difluorophenyl)-3-(4-hydroxybutan-2-yl)urea
CID 78998254
1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea
CID 114696666
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
4-fluoro-2-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014713
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 55144400

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea (CID 103977256) is 1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea is CC(NC(=O)Nc1ccc(F)cc1F)C1CCNC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea?
The InChIKey is FNTJZLXGIXFHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c1-8(9-4-5-16-7-9)17-13(19)18-12-3-2-10(14)6-11(12)15/h2-3,6,8-9,16H,4-5,7H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea?
1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea has a molecular weight of 269.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea is sourced from PubChem (CID 103977256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).