3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide

C21H19NO4 — CID 75392204

IUPAC3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccco1)c1cccc(C2OCCO2)c1
InChIInChI=1S/C21H19NO4/c23-20(16-8-4-9-17(14-16)21-25-12-13-26-21)22-19(18-10-5-11-24-18)15-6-2-1-3-7-15/h1-11,14,19,21H,12-13H2,(H,22,23)
InChIKeySARXXHRYTITLKZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.84
Rot. Bonds5

About 3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide

3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide (PubChem CID 75392204) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide
PubChem CID75392204
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccco1)c1cccc(C2OCCO2)c1
InChIInChI=1S/C21H19NO4/c23-20(16-8-4-9-17(14-16)21-25-12-13-26-21)22-19(18-10-5-11-24-18)15-6-2-1-3-7-15/h1-11,14,19,21H,12-13H2,(H,22,23)
InChIKeySARXXHRYTITLKZ-UHFFFAOYSA-N
XLogP3.84
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-nitrobenzamide
CID 8928120
N-[(S)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
CID 8928119
3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928311
N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204
3-(benzenesulfonamido)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 55454696
3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 55454906
N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide
CID 8928135
N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 75857678
N-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide
CID 166401804
2,6-difluoro-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134028235
4-(dimethylamino)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029302

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide (CID 75392204) is 3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide is O=C(NC(c1ccccc1)c1ccco1)c1cccc(C2OCCO2)c1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide?
The InChIKey is SARXXHRYTITLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c23-20(16-8-4-9-17(14-16)21-25-12-13-26-21)22-19(18-10-5-11-24-18)15-6-2-1-3-7-15/h1-11,14,19,21H,12-13H2,(H,22,23).
What are the key properties of 3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide?
3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide has a molecular weight of 349.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide is sourced from PubChem (CID 75392204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).