1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea

C15H17FN2O2 — CID 1460428

IUPAC1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea
SMILESC[C@H](CCc1ccco1)NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H17FN2O2/c1-11(7-8-14-6-3-9-20-14)17-15(19)18-13-5-2-4-12(16)10-13/h2-6,9-11H,7-8H2,1H3,(H2,17,18,19)/t11-/m1/s1
InChIKeyNUPIGJNDOAYXQY-LLVKDONJSA-N
MW276.31 g/mol
LogP3.56
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea

1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea (PubChem CID 1460428) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea
PubChem CID1460428
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea
SMILESC[C@H](CCc1ccco1)NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H17FN2O2/c1-11(7-8-14-6-3-9-20-14)17-15(19)18-13-5-2-4-12(16)10-13/h2-6,9-11H,7-8H2,1H3,(H2,17,18,19)/t11-/m1/s1
InChIKeyNUPIGJNDOAYXQY-LLVKDONJSA-N
XLogP3.56
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 55364071
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide
CID 115745188
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
1-[1-(furan-2-yl)propan-2-yl]-3-(3-methoxyphenyl)urea
CID 47172007
1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea
CID 97434915
1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea
CID 9233877
2,3-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 62661107
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea (CID 1460428) is 1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea is C[C@H](CCc1ccco1)NC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea?
The InChIKey is NUPIGJNDOAYXQY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-11(7-8-14-6-3-9-20-14)17-15(19)18-13-5-2-4-12(16)10-13/h2-6,9-11H,7-8H2,1H3,(H2,17,18,19)/t11-/m1/s1.
What are the key properties of 1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea?
1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea has a molecular weight of 276.31 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea is sourced from PubChem (CID 1460428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).