3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide

C15H16FNO3 — CID 99874043

IUPAC3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)Cc2ccoc2)cc1F
InChIInChI=1S/C15H16FNO3/c1-10(7-11-5-6-20-9-11)17-15(18)12-3-4-14(19-2)13(16)8-12/h3-6,8-10H,7H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyGWUWTKLGONXKOI-JTQLQIEISA-N
MW277.30 g/mol
LogP2.79
Rot. Bonds5

About 3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide

3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide (PubChem CID 99874043) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide
PubChem CID99874043
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)Cc2ccoc2)cc1F
InChIInChI=1S/C15H16FNO3/c1-10(7-11-5-6-20-9-11)17-15(18)12-3-4-14(19-2)13(16)8-12/h3-6,8-10H,7H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyGWUWTKLGONXKOI-JTQLQIEISA-N
XLogP2.79
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromobutan-2-yl)-3-fluoro-4-methoxybenzamide
CID 83179034
N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide
CID 121127019
4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide
CID 121127042
N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide
CID 99873162
3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100611701
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-4-methoxybenzamide
CID 9482281
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide
CID 58343292
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 114300958

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide?
The IUPAC name of 3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide (CID 99874043) is 3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for 3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide?
The canonical SMILES for 3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H](C)Cc2ccoc2)cc1F.
What is the InChIKey of 3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide?
The InChIKey is GWUWTKLGONXKOI-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FNO3/c1-10(7-11-5-6-20-9-11)17-15(18)12-3-4-14(19-2)13(16)8-12/h3-6,8-10H,7H2,1-2H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide?
3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide has a molecular weight of 277.30 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 99874043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).