3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide

C18H13F2NO2 — CID 8928311

IUPAC3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccco1)c1cc(F)cc(F)c1
InChIInChI=1S/C18H13F2NO2/c19-14-9-13(10-15(20)11-14)18(22)21-17(16-7-4-8-23-16)12-5-2-1-3-6-12/h1-11,17H,(H,21,22)/t17-/m0/s1
InChIKeyNIMZGEOXZUYYPV-KRWDZBQOSA-N
MW313.30 g/mol
LogP4.08
Rot. Bonds4

About 3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide

3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide (PubChem CID 8928311) has the molecular formula C18H13F2NO2 and a molecular weight of 313.30 g/mol. Its IUPAC name is 3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
PubChem CID8928311
Molecular FormulaC18H13F2NO2
Molecular Weight313.30 g/mol
Exact Mass313.09
IUPAC Name3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccco1)c1cc(F)cc(F)c1
InChIInChI=1S/C18H13F2NO2/c19-14-9-13(10-15(20)11-14)18(22)21-17(16-7-4-8-23-16)12-5-2-1-3-6-12/h1-11,17H,(H,21,22)/t17-/m0/s1
InChIKeyNIMZGEOXZUYYPV-KRWDZBQOSA-N
XLogP4.08
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928171
N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204
2,6-difluoro-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134028235
N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide
CID 8928135
3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8854012
3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928137
4-(dimethylamino)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029302
2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide
CID 106853210
N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
CID 8928120
N-[(S)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
CID 8928119
[furan-2-yl(phenyl)methyl]urea
CID 14906081
3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide
CID 55687173

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide (CID 8928311) is 3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide is O=C(N[C@@H](c1ccccc1)c1ccco1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide?
The InChIKey is NIMZGEOXZUYYPV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H13F2NO2/c19-14-9-13(10-15(20)11-14)18(22)21-17(16-7-4-8-23-16)12-5-2-1-3-6-12/h1-11,17H,(H,21,22)/t17-/m0/s1.
What are the key properties of 3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide?
3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide has a molecular weight of 313.30 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide is sourced from PubChem (CID 8928311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).