4-[(furan-3-ylmethylamino)methyl]benzamide

C13H14N2O2 — CID 47272463

IUPAC4-[(furan-3-ylmethylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNCc2ccoc2)cc1
InChIInChI=1S/C13H14N2O2/c14-13(16)12-3-1-10(2-4-12)7-15-8-11-5-6-17-9-11/h1-6,9,15H,7-8H2,(H2,14,16)
InChIKeyUIWQKQZOTRVKAR-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.67
Rot. Bonds5

About 4-[(furan-3-ylmethylamino)methyl]benzamide

4-[(furan-3-ylmethylamino)methyl]benzamide (PubChem CID 47272463) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[(furan-3-ylmethylamino)methyl]benzamide.

Molecular Properties

Compound Name4-[(furan-3-ylmethylamino)methyl]benzamide
PubChem CID47272463
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-[(furan-3-ylmethylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNCc2ccoc2)cc1
InChIInChI=1S/C13H14N2O2/c14-13(16)12-3-1-10(2-4-12)7-15-8-11-5-6-17-9-11/h1-6,9,15H,7-8H2,(H2,14,16)
InChIKeyUIWQKQZOTRVKAR-UHFFFAOYSA-N
XLogP1.67
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
2-[4-[(furan-3-ylmethylamino)methyl]phenoxy]acetamide
CID 115585264
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930
2-(furan-3-ylmethylamino)acetic acid
CID 63204531
4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
CID 60658050
4-(aminomethyl)-N-(furan-3-ylmethyl)benzamide
CID 104694164
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714
4-[(prop-2-enylamino)methyl]benzamide
CID 28563456
4-[4-[(benzylamino)methyl]phenoxy]benzamide
CID 59730151
4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide
CID 47124661
(4-carbamoylphenyl)methylcarbamic acid
CID 91190690
4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 28583134

Frequently Asked Questions

What is the IUPAC name of 4-[(furan-3-ylmethylamino)methyl]benzamide?
The IUPAC name of 4-[(furan-3-ylmethylamino)methyl]benzamide (CID 47272463) is 4-[(furan-3-ylmethylamino)methyl]benzamide.
What is the SMILES notation for 4-[(furan-3-ylmethylamino)methyl]benzamide?
The canonical SMILES for 4-[(furan-3-ylmethylamino)methyl]benzamide is NC(=O)c1ccc(CNCc2ccoc2)cc1.
What is the InChIKey of 4-[(furan-3-ylmethylamino)methyl]benzamide?
The InChIKey is UIWQKQZOTRVKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-13(16)12-3-1-10(2-4-12)7-15-8-11-5-6-17-9-11/h1-6,9,15H,7-8H2,(H2,14,16).
What are the key properties of 4-[(furan-3-ylmethylamino)methyl]benzamide?
4-[(furan-3-ylmethylamino)methyl]benzamide has a molecular weight of 230.27 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(furan-3-ylmethylamino)methyl]benzamide is sourced from PubChem (CID 47272463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).