3-(furan-3-carbonylamino)-2-hydroxybenzoic acid

C12H9NO5 — CID 113458385

IUPAC3-(furan-3-carbonylamino)-2-hydroxybenzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)c1ccoc1
InChIInChI=1S/C12H9NO5/c14-10-8(12(16)17)2-1-3-9(10)13-11(15)7-4-5-18-6-7/h1-6,14H,(H,13,15)(H,16,17)
InChIKeyDHQODWKTLWNDCU-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.94
Rot. Bonds3

About 3-(furan-3-carbonylamino)-2-hydroxybenzoic acid

3-(furan-3-carbonylamino)-2-hydroxybenzoic acid (PubChem CID 113458385) has the molecular formula C12H9NO5 and a molecular weight of 247.21 g/mol. Its IUPAC name is 3-(furan-3-carbonylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(furan-3-carbonylamino)-2-hydroxybenzoic acid
PubChem CID113458385
Molecular FormulaC12H9NO5
Molecular Weight247.21 g/mol
Exact Mass247.05
IUPAC Name3-(furan-3-carbonylamino)-2-hydroxybenzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)c1ccoc1
InChIInChI=1S/C12H9NO5/c14-10-8(12(16)17)2-1-3-9(10)13-11(15)7-4-5-18-6-7/h1-6,14H,(H,13,15)(H,16,17)
InChIKeyDHQODWKTLWNDCU-UHFFFAOYSA-N
XLogP1.94
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.94
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

N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-3-carboxamide
CID 18169235
5-chloro-2-(furan-3-carbonylamino)benzoic acid
CID 16771214
4-bromo-2-(furan-3-carbonylamino)benzoic acid
CID 54932571
3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832806
2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid
CID 104832964
N-[2-(2-phenylethylcarbamoyl)phenyl]furan-3-carboxamide
CID 18102051
N-(2-methoxyphenyl)furan-3-carboxamide
CID 17437625
2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269172
3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832839
3-[(3-bromo-4-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 107998093
3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832762
3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832980

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-carbonylamino)-2-hydroxybenzoic acid?
The IUPAC name of 3-(furan-3-carbonylamino)-2-hydroxybenzoic acid (CID 113458385) is 3-(furan-3-carbonylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 3-(furan-3-carbonylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 3-(furan-3-carbonylamino)-2-hydroxybenzoic acid is O=C(Nc1cccc(C(=O)O)c1O)c1ccoc1.
What is the InChIKey of 3-(furan-3-carbonylamino)-2-hydroxybenzoic acid?
The InChIKey is DHQODWKTLWNDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO5/c14-10-8(12(16)17)2-1-3-9(10)13-11(15)7-4-5-18-6-7/h1-6,14H,(H,13,15)(H,16,17).
What are the key properties of 3-(furan-3-carbonylamino)-2-hydroxybenzoic acid?
3-(furan-3-carbonylamino)-2-hydroxybenzoic acid has a molecular weight of 247.21 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-carbonylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 113458385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).