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

C14H11ClFNO4 — CID 61024294

IUPAC5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2ccc(F)cc2Cl)cc1C(=O)O
InChIInChI=1S/C14H11ClFNO4/c1-7-11(14(19)20)5-9(21-7)6-17-13(18)10-3-2-8(16)4-12(10)15/h2-5H,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyFOFVWKJDOGJFBC-UHFFFAOYSA-N
MW311.70 g/mol
LogP3.01
Rot. Bonds4

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

5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 61024294) has the molecular formula C14H11ClFNO4 and a molecular weight of 311.70 g/mol. Its IUPAC name is 5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID61024294
Molecular FormulaC14H11ClFNO4
Molecular Weight311.70 g/mol
Exact Mass311.04
IUPAC Name5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2ccc(F)cc2Cl)cc1C(=O)O
InChIInChI=1S/C14H11ClFNO4/c1-7-11(14(19)20)5-9(21-7)6-17-13(18)10-3-2-8(16)4-12(10)15/h2-5H,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyFOFVWKJDOGJFBC-UHFFFAOYSA-N
XLogP3.01
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 82873027
5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024297
5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61025078
5-[[(3-fluoro-5-methylbenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 99637081
5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023784
5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023110
5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024175
5-[[[2-chloro-5-(2-methylpropanoylamino)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226496
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-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 107613488
5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024449

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid (CID 61024294) is 5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)c2ccc(F)cc2Cl)cc1C(=O)O.
What is the InChIKey of 5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is FOFVWKJDOGJFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4/c1-7-11(14(19)20)5-9(21-7)6-17-13(18)10-3-2-8(16)4-12(10)15/h2-5H,6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 311.70 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 61024294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).