5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid

C14H12ClNO5 — CID 61024297

IUPAC5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2ccc(Cl)cc2O)cc1C(=O)O
InChIInChI=1S/C14H12ClNO5/c1-7-11(14(19)20)5-9(21-7)6-16-13(18)10-3-2-8(15)4-12(10)17/h2-5,17H,6H2,1H3,(H,16,18)(H,19,20)
InChIKeyHOBOJVYKWHFURQ-UHFFFAOYSA-N
MW309.70 g/mol
LogP2.58
Rot. Bonds4

About 5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 61024297) has the molecular formula C14H12ClNO5 and a molecular weight of 309.70 g/mol. Its IUPAC name is 5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID61024297
Molecular FormulaC14H12ClNO5
Molecular Weight309.70 g/mol
Exact Mass309.04
IUPAC Name5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2ccc(Cl)cc2O)cc1C(=O)O
InChIInChI=1S/C14H12ClNO5/c1-7-11(14(19)20)5-9(21-7)6-16-13(18)10-3-2-8(15)4-12(10)17/h2-5,17H,6H2,1H3,(H,16,18)(H,19,20)
InChIKeyHOBOJVYKWHFURQ-UHFFFAOYSA-N
XLogP2.58
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024294
5-[[(3-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 82873027
5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61025078
5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023110
4-chloro-2-hydroxy-N-[(2-methylphenyl)methyl]benzamide
CID 54941047
5-[[[2-chloro-5-(2-methylpropanoylamino)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226496
5-[(5-chloro-2-fluoroanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103237912
4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598912
5-[[(2,5-dimethylthiophene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024303
5-[[(2,5-dibromobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 114367941
5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024449
N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide
CID 103110241

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid (CID 61024297) is 5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)c2ccc(Cl)cc2O)cc1C(=O)O.
What is the InChIKey of 5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is HOBOJVYKWHFURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO5/c1-7-11(14(19)20)5-9(21-7)6-16-13(18)10-3-2-8(15)4-12(10)17/h2-5,17H,6H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 309.70 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 61024297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).