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

C21H20N2O3 — CID 134029454

IUPAC4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C21H20N2O3/c1-15(24)22-14-16-9-11-18(12-10-16)21(25)23-20(19-8-5-13-26-19)17-6-3-2-4-7-17/h2-13,20H,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyILNUJXUFMUCFIY-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.44
Rot. Bonds6

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

4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide (PubChem CID 134029454) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide
PubChem CID134029454
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C21H20N2O3/c1-15(24)22-14-16-9-11-18(12-10-16)21(25)23-20(19-8-5-13-26-19)17-6-3-2-4-7-17/h2-13,20H,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyILNUJXUFMUCFIY-UHFFFAOYSA-N
XLogP3.44
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029302
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 52516146
4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide
CID 134029320
N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide
CID 8928135
4-(acetamidomethyl)-N-(1,1-diphenylpropan-2-yl)benzamide
CID 134054915
N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204
4-(diethylsulfamoyl)-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928237
3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928137
3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928311
4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46564866
3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 55454906
2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide
CID 97148730

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide (CID 134029454) is 4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide is CC(=O)NCc1ccc(C(=O)NC(c2ccccc2)c2ccco2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide?
The InChIKey is ILNUJXUFMUCFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15(24)22-14-16-9-11-18(12-10-16)21(25)23-20(19-8-5-13-26-19)17-6-3-2-4-7-17/h2-13,20H,14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide?
4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide has a molecular weight of 348.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide is sourced from PubChem (CID 134029454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).