N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide

C13H13NO3 — CID 113342680

IUPACN-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCc1ccoc1
InChIInChI=1S/C13H13NO3/c1-9-11(3-2-4-12(9)15)13(16)14-7-10-5-6-17-8-10/h2-6,8,15H,7H2,1H3,(H,14,16)
InChIKeyIONBNLUJOWUZIQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.22
Rot. Bonds3

About N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide

N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide (PubChem CID 113342680) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide
PubChem CID113342680
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC NameN-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCc1ccoc1
InChIInChI=1S/C13H13NO3/c1-9-11(3-2-4-12(9)15)13(16)14-7-10-5-6-17-8-10/h2-6,8,15H,7H2,1H3,(H,14,16)
InChIKeyIONBNLUJOWUZIQ-UHFFFAOYSA-N
XLogP2.22
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-3-ylmethyl)-2-methylbenzamide
CID 47285303
N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234
3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid
CID 82808720
5-chloro-N-(furan-3-ylmethyl)-2-hydroxybenzamide
CID 47204985
N-(furan-3-ylmethyl)-1H-indole-7-carboxamide
CID 115659835
3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829412
N-(furan-3-ylmethyl)-4-hydroxybenzamide
CID 115870248
4-(aminomethyl)-N-(furan-3-ylmethyl)benzamide
CID 104694164
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
N-(furan-3-ylmethyl)-3-methylbut-2-enamide
CID 130157665
3-[(3-hydroxy-2-methylbenzoyl)amino]propanoic acid
CID 82827188
N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82827346

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide (CID 113342680) is N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide?
The InChIKey is IONBNLUJOWUZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-9-11(3-2-4-12(9)15)13(16)14-7-10-5-6-17-8-10/h2-6,8,15H,7H2,1H3,(H,14,16).
What are the key properties of N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide?
N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide has a molecular weight of 231.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 113342680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).