N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide

C19H14F3NO2 — CID 8928135

IUPACN-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccco1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3NO2/c20-19(21,22)15-10-8-14(9-11-15)18(24)23-17(16-7-4-12-25-16)13-5-2-1-3-6-13/h1-12,17H,(H,23,24)/t17-/m0/s1
InChIKeyPOGHEFJMZVYYJG-KRWDZBQOSA-N
MW345.32 g/mol
LogP4.82
Rot. Bonds4

About N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide

N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 8928135) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID8928135
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC NameN-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccco1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3NO2/c20-19(21,22)15-10-8-14(9-11-15)18(24)23-17(16-7-4-12-25-16)13-5-2-1-3-6-13/h1-12,17H,(H,23,24)/t17-/m0/s1
InChIKeyPOGHEFJMZVYYJG-KRWDZBQOSA-N
XLogP4.82
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029302
3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928311
3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928171
N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204
4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide
CID 134029320
4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029454
2,6-difluoro-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134028235
2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide
CID 106853210
4-(diethylsulfamoyl)-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928237
[furan-2-yl(phenyl)methyl]urea
CID 14906081
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 92880072
3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928137

Frequently Asked Questions

What is the IUPAC name of N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide (CID 8928135) is N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide is O=C(N[C@@H](c1ccccc1)c1ccco1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is POGHEFJMZVYYJG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H14F3NO2/c20-19(21,22)15-10-8-14(9-11-15)18(24)23-17(16-7-4-12-25-16)13-5-2-1-3-6-13/h1-12,17H,(H,23,24)/t17-/m0/s1.
What are the key properties of N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide?
N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 345.32 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 8928135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).