5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide

C12H12N2O3 — CID 82344285

IUPAC5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N)o2)c(O)c1
InChIInChI=1S/C12H12N2O3/c1-7-2-3-8(9(15)6-7)14-12(16)10-4-5-11(13)17-10/h2-6,15H,13H2,1H3,(H,14,16)
InChIKeyGTORRTWXRYJCJX-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.13
Rot. Bonds2

About 5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide

5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide (PubChem CID 82344285) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide
PubChem CID82344285
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N)o2)c(O)c1
InChIInChI=1S/C12H12N2O3/c1-7-2-3-8(9(15)6-7)14-12(16)10-4-5-11(13)17-10/h2-6,15H,13H2,1H3,(H,14,16)
InChIKeyGTORRTWXRYJCJX-UHFFFAOYSA-N
XLogP2.13
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide
CID 112726930
N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide
CID 2474419
5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 82344274
N-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide
CID 43259016
5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 82344269
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
5-amino-N-(2-chlorophenyl)furan-2-carboxamide
CID 82344260
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
N-(2-amino-5-methylphenyl)-5-ethylfuran-2-carboxamide
CID 112557315
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
5-amino-N-(2,5-difluorophenyl)furan-2-carboxamide
CID 82344363
N-(2-hydroxy-4-methylphenyl)-4-(methoxymethyl)benzamide
CID 8638574

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide (CID 82344285) is 5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(N)o2)c(O)c1.
What is the InChIKey of 5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide?
The InChIKey is GTORRTWXRYJCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-2-3-8(9(15)6-7)14-12(16)10-4-5-11(13)17-10/h2-6,15H,13H2,1H3,(H,14,16).
What are the key properties of 5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide?
5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 82344285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).