1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one

C15H16FNO2 — CID 141277071

IUPAC1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1ccc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H16FNO2/c1-17-9-8-14(18)15-7-6-13(19-15)10-11-2-4-12(16)5-3-11/h2-7,17H,8-10H2,1H3
InChIKeySQHNYKPICQGGOY-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.80
Rot. Bonds6

About 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one

1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one (PubChem CID 141277071) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one
PubChem CID141277071
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1ccc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H16FNO2/c1-17-9-8-14(18)15-7-6-13(19-15)10-11-2-4-12(16)5-3-11/h2-7,17H,8-10H2,1H3
InChIKeySQHNYKPICQGGOY-UHFFFAOYSA-N
XLogP2.80
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2,4-dioxobutanoic acid
CID 91404110
CID 90986043
CID 90986043
cyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate
CID 174458503
methyl (Z)-4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-4-hydroxy-2-oxobut-3-enoate
CID 22209624
1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one
CID 82112284
[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl] N-tert-butyl-N-(2-methoxyethyl)carbamate
CID 174639042
4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2,4-dioxo-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 91188078
3-[4-[(4-fluorophenyl)methyl]phenoxy]propyl 3-(methylamino)propanoate
CID 67648869
1-(5-ethylfuran-2-yl)butan-1-one
CID 62344781
1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one
CID 114736388
1-(5-ethylfuran-2-yl)heptan-1-one
CID 114752170
1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-en-1-one
CID 509499

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one?
The IUPAC name of 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one (CID 141277071) is 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one?
The canonical SMILES for 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one is CNCCC(=O)c1ccc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one?
The InChIKey is SQHNYKPICQGGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-17-9-8-14(18)15-7-6-13(19-15)10-11-2-4-12(16)5-3-11/h2-7,17H,8-10H2,1H3.
What are the key properties of 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one?
1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one has a molecular weight of 261.30 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one is sourced from PubChem (CID 141277071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).