3-(2-fluorophenyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]propanamide

C16H18FNO2 — CID 99874048

IUPAC3-(2-fluorophenyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]propanamide
SMILESC[C@@H](Cc1ccoc1)NC(=O)CCc1ccccc1F
InChIInChI=1S/C16H18FNO2/c1-12(10-13-8-9-20-11-13)18-16(19)7-6-14-4-2-3-5-15(14)17/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyVZLVBLNGOMKAKP-LBPRGKRZSA-N
MW275.32 g/mol
LogP3.10
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]propanamide

3-(2-fluorophenyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]propanamide (PubChem CID 99874048) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]propanamide
PubChem CID99874048
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name3-(2-fluorophenyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]propanamide
SMILESC[C@@H](Cc1ccoc1)NC(=O)CCc1ccccc1F
InChIInChI=1S/C16H18FNO2/c1-12(10-13-8-9-20-11-13)18-16(19)7-6-14-4-2-3-5-15(14)17/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyVZLVBLNGOMKAKP-LBPRGKRZSA-N
XLogP3.10
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]propanamide (CID 99874048) is 3-(2-fluorophenyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]propanamide is C[C@@H](Cc1ccoc1)NC(=O)CCc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]propanamide?
The InChIKey is VZLVBLNGOMKAKP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-12(10-13-8-9-20-11-13)18-16(19)7-6-14-4-2-3-5-15(14)17/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 3-(2-fluorophenyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]propanamide?
3-(2-fluorophenyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]propanamide has a molecular weight of 275.32 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]propanamide is sourced from PubChem (CID 99874048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).