N-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide

C20H20N2O2 — CID 17451164

IUPACN-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(CNCc3ccco3)c2)cc1
InChIInChI=1S/C20H20N2O2/c1-15-7-9-17(10-8-15)20(23)22-18-5-2-4-16(12-18)13-21-14-19-6-3-11-24-19/h2-12,21H,13-14H2,1H3,(H,22,23)
InChIKeyWUVODKZWRHJWPH-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.13
Rot. Bonds6

About N-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide

N-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide (PubChem CID 17451164) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide
PubChem CID17451164
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(CNCc3ccco3)c2)cc1
InChIInChI=1S/C20H20N2O2/c1-15-7-9-17(10-8-15)20(23)22-18-5-2-4-16(12-18)13-21-14-19-6-3-11-24-19/h2-12,21H,13-14H2,1H3,(H,22,23)
InChIKeyWUVODKZWRHJWPH-UHFFFAOYSA-N
XLogP4.13
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
CID 27654804
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
CID 55806662
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472
4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide
CID 31136249
N-[3-[[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoylamino]methyl]phenyl]-4-methylbenzamide
CID 55899785
4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride
CID 119740495
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine
CID 17055149
N-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide
CID 86952312
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
N-(furan-2-ylmethyl)-3-[[2-(furan-2-ylmethylamino)acetyl]amino]benzamide
CID 54818637

Frequently Asked Questions

What is the IUPAC name of N-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide (CID 17451164) is N-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(CNCc3ccco3)c2)cc1.
What is the InChIKey of N-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide?
The InChIKey is WUVODKZWRHJWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-15-7-9-17(10-8-15)20(23)22-18-5-2-4-16(12-18)13-21-14-19-6-3-11-24-19/h2-12,21H,13-14H2,1H3,(H,22,23).
What are the key properties of N-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide?
N-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide has a molecular weight of 320.39 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 17451164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).