3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea

C15H21F2N3O — CID 106613190

IUPAC3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
SMILESCC(C)N(CC1CCCN1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H21F2N3O/c1-10(2)20(9-12-4-3-7-18-12)15(21)19-14-6-5-11(16)8-13(14)17/h5-6,8,10,12,18H,3-4,7,9H2,1-2H3,(H,19,21)
InChIKeyFEZJLZSLCNDLPC-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.96
Rot. Bonds4

About 3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea

3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea (PubChem CID 106613190) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
PubChem CID106613190
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
SMILESCC(C)N(CC1CCCN1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H21F2N3O/c1-10(2)20(9-12-4-3-7-18-12)15(21)19-14-6-5-11(16)8-13(14)17/h5-6,8,10,12,18H,3-4,7,9H2,1-2H3,(H,19,21)
InChIKeyFEZJLZSLCNDLPC-UHFFFAOYSA-N
XLogP2.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613236
N-(4-fluorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614350
N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119873541
4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-fluorobenzoic acid
CID 63190120
3-chloro-4-fluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609627
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626682
2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609970
3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea
CID 106629717
3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea
CID 60800156
2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210125
3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 79701630
3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626366

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea (CID 106613190) is 3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea is CC(C)N(CC1CCCN1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is FEZJLZSLCNDLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-10(2)20(9-12-4-3-7-18-12)15(21)19-14-6-5-11(16)8-13(14)17/h5-6,8,10,12,18H,3-4,7,9H2,1-2H3,(H,19,21).
What are the key properties of 3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea?
3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 297.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea is sourced from PubChem (CID 106613190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).