2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid

C13H11NO5 — CID 114818768

IUPAC2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(C(=O)O)c(O)c2)co1
InChIInChI=1S/C13H11NO5/c1-7-4-8(6-19-7)12(16)14-9-2-3-10(13(17)18)11(15)5-9/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKeyXNWAHYOFSPHWKF-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.24
Rot. Bonds3

About 2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid

2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid (PubChem CID 114818768) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid
PubChem CID114818768
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(C(=O)O)c(O)c2)co1
InChIInChI=1S/C13H11NO5/c1-7-4-8(6-19-7)12(16)14-9-2-3-10(13(17)18)11(15)5-9/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKeyXNWAHYOFSPHWKF-UHFFFAOYSA-N
XLogP2.24
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818932
calcium 4-benzamido-2-hydroxybenzoic acid
CID 54607902
4-benzamidosalicylic acid, calcium salt
CID 126959845
4-[(3-chloro-4-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 28669002
calcium;4-benzamido-2-hydroxybenzoic acid;hydride
CID 173372748
5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 114818831
N-(3-hydroxyphenyl)-5-methylfuran-3-carboxamide
CID 877422
2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid
CID 28667790
4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid
CID 43823123
N-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 114820847
5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818783
N-(4-amino-3-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818719

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid (CID 114818768) is 2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid is Cc1cc(C(=O)Nc2ccc(C(=O)O)c(O)c2)co1.
What is the InChIKey of 2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid?
The InChIKey is XNWAHYOFSPHWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c1-7-4-8(6-19-7)12(16)14-9-2-3-10(13(17)18)11(15)5-9/h2-6,15H,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid?
2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid has a molecular weight of 261.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 114818768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).