3-(furan-2-ylmethylamino)-4-methoxybenzamide

C13H14N2O3 — CID 43735328

IUPAC3-(furan-2-ylmethylamino)-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NCc1ccco1
InChIInChI=1S/C13H14N2O3/c1-17-12-5-4-9(13(14)16)7-11(12)15-8-10-3-2-6-18-10/h2-7,15H,8H2,1H3,(H2,14,16)
InChIKeyFRIGMEUDJXKRLE-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.00
Rot. Bonds5

About 3-(furan-2-ylmethylamino)-4-methoxybenzamide

3-(furan-2-ylmethylamino)-4-methoxybenzamide (PubChem CID 43735328) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(furan-2-ylmethylamino)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(furan-2-ylmethylamino)-4-methoxybenzamide
PubChem CID43735328
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-(furan-2-ylmethylamino)-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NCc1ccco1
InChIInChI=1S/C13H14N2O3/c1-17-12-5-4-9(13(14)16)7-11(12)15-8-10-3-2-6-18-10/h2-7,15H,8H2,1H3,(H2,14,16)
InChIKeyFRIGMEUDJXKRLE-UHFFFAOYSA-N
XLogP2.00
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(furan-2-ylmethylamino)benzamide
CID 43679459
5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid
CID 104608517
N-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682
3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide
CID 66386759
4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide
CID 75436007
4-methoxy-3-(pyridin-2-ylmethylamino)benzamide
CID 43735349
2-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54814023
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735345
3-[(3-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735340
5-(furan-2-ylmethylsulfamoyl)-2-methoxybenzamide
CID 34027934
4-amino-3-[(2-methoxyphenyl)methylamino]benzamide
CID 63355954

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylamino)-4-methoxybenzamide?
The IUPAC name of 3-(furan-2-ylmethylamino)-4-methoxybenzamide (CID 43735328) is 3-(furan-2-ylmethylamino)-4-methoxybenzamide.
What is the SMILES notation for 3-(furan-2-ylmethylamino)-4-methoxybenzamide?
The canonical SMILES for 3-(furan-2-ylmethylamino)-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethylamino)-4-methoxybenzamide?
The InChIKey is FRIGMEUDJXKRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-12-5-4-9(13(14)16)7-11(12)15-8-10-3-2-6-18-10/h2-7,15H,8H2,1H3,(H2,14,16).
What are the key properties of 3-(furan-2-ylmethylamino)-4-methoxybenzamide?
3-(furan-2-ylmethylamino)-4-methoxybenzamide has a molecular weight of 246.27 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylamino)-4-methoxybenzamide is sourced from PubChem (CID 43735328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).