N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide

C13H13NO3 — CID 55204470

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1ccco1
InChIInChI=1S/C13H13NO3/c15-9-11-4-1-3-10(7-11)8-14-13(16)12-5-2-6-17-12/h1-7,15H,8-9H2,(H,14,16)
InChIKeyPUXXSPSETAJXMA-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.70
Rot. Bonds4

About N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide

N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 55204470) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID55204470
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1ccco1
InChIInChI=1S/C13H13NO3/c15-9-11-4-1-3-10(7-11)8-14-13(16)12-5-2-6-17-12/h1-7,15H,8-9H2,(H,14,16)
InChIKeyPUXXSPSETAJXMA-UHFFFAOYSA-N
XLogP1.70
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(naphthalen-1-ylmethyl)furan-2-carboxamide
CID 60675809
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 63311080
2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 100695919
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103956150
N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 63311038
4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107216600
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311262
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide
CID 110785347
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide (CID 55204470) is N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide is O=C(NCc1cccc(CO)c1)c1ccco1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is PUXXSPSETAJXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-9-11-4-1-3-10(7-11)8-14-13(16)12-5-2-6-17-12/h1-7,15H,8-9H2,(H,14,16).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide?
N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 55204470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).