N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide

C18H20FNO4 — CID 95341792

IUPACN-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1cc(F)ccc1OC[C@@H]1CCCO1
InChIInChI=1S/C18H20FNO4/c19-13-5-7-17(24-12-15-4-2-10-23-15)16(11-13)20-18(21)8-6-14-3-1-9-22-14/h1,3,5,7,9,11,15H,2,4,6,8,10,12H2,(H,20,21)/t15-/m0/s1
InChIKeyKLFACTRYAFNLBP-HNNXBMFYSA-N
MW333.36 g/mol
LogP3.55
Rot. Bonds7

About N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide

N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide (PubChem CID 95341792) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide
PubChem CID95341792
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC NameN-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1cc(F)ccc1OC[C@@H]1CCCO1
InChIInChI=1S/C18H20FNO4/c19-13-5-7-17(24-12-15-4-2-10-23-15)16(11-13)20-18(21)8-6-14-3-1-9-22-14/h1,3,5,7,9,11,15H,2,4,6,8,10,12H2,(H,20,21)/t15-/m0/s1
InChIKeyKLFACTRYAFNLBP-HNNXBMFYSA-N
XLogP3.55
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119321173
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95334266
3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120609593
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 56783386
5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 126794671
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 95616102
N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide
CID 95330766
3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide
CID 120500648
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 56783381
3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 60574673
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938950

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide (CID 95341792) is N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)Nc1cc(F)ccc1OC[C@@H]1CCCO1.
What is the InChIKey of N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide?
The InChIKey is KLFACTRYAFNLBP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20FNO4/c19-13-5-7-17(24-12-15-4-2-10-23-15)16(11-13)20-18(21)8-6-14-3-1-9-22-14/h1,3,5,7,9,11,15H,2,4,6,8,10,12H2,(H,20,21)/t15-/m0/s1.
What are the key properties of N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide?
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide has a molecular weight of 333.36 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 95341792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).