3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide

C18H14FNO2 — CID 8928171

IUPAC3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccco1)c1cccc(F)c1
InChIInChI=1S/C18H14FNO2/c19-15-9-4-8-14(12-15)18(21)20-17(16-10-5-11-22-16)13-6-2-1-3-7-13/h1-12,17H,(H,20,21)/t17-/m0/s1
InChIKeyKRZIMJKDLIFDFS-KRWDZBQOSA-N
MW295.31 g/mol
LogP3.94
Rot. Bonds4

About 3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide

3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide (PubChem CID 8928171) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
PubChem CID8928171
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccco1)c1cccc(F)c1
InChIInChI=1S/C18H14FNO2/c19-15-9-4-8-14(12-15)18(21)20-17(16-10-5-11-22-16)13-6-2-1-3-7-13/h1-12,17H,(H,20,21)/t17-/m0/s1
InChIKeyKRZIMJKDLIFDFS-KRWDZBQOSA-N
XLogP3.94
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928311
2,6-difluoro-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134028235
N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
CID 8928120
N-[(S)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
CID 8928119
N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide
CID 973229
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide
CID 1315645
N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204
3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 75392204
N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide
CID 8928135
3-(benzenesulfonamido)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 55454696
3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 55454906
4-(dimethylamino)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029302

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide (CID 8928171) is 3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide is O=C(N[C@@H](c1ccccc1)c1ccco1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide?
The InChIKey is KRZIMJKDLIFDFS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H14FNO2/c19-15-9-4-8-14(12-15)18(21)20-17(16-10-5-11-22-16)13-6-2-1-3-7-13/h1-12,17H,(H,20,21)/t17-/m0/s1.
What are the key properties of 3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide?
3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide has a molecular weight of 295.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide is sourced from PubChem (CID 8928171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).