5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid

C15H14FNO4 — CID 61023784

IUPAC5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)Cc2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C15H14FNO4/c1-9-13(15(19)20)7-12(21-9)8-17-14(18)6-10-2-4-11(16)5-3-10/h2-5,7H,6,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyJEECTVWBTJDPRQ-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.28
Rot. Bonds5

About 5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 61023784) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID61023784
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)Cc2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C15H14FNO4/c1-9-13(15(19)20)7-12(21-9)8-17-14(18)6-10-2-4-11(16)5-3-10/h2-5,7H,6,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyJEECTVWBTJDPRQ-UHFFFAOYSA-N
XLogP2.28
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024175
5-[[[2-(3-methoxy-4-methylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226664
5-[[[2-(2,6-dimethylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687190
5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024294
5-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226452
5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 71915529
5-[[(3-fluoro-5-methylbenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 99637081
5-[[[4-(hydroxymethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024302
5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61025078
2-methyl-5-[[4-(4-methylphenyl)butanoylamino]methyl]furan-3-carboxylic acid
CID 119226205
2-methyl-5-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
2-methyl-5-[[3-(4-propan-2-ylphenyl)propanoylamino]methyl]furan-3-carboxylic acid
CID 119226788

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid (CID 61023784) is 5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)Cc2ccc(F)cc2)cc1C(=O)O.
What is the InChIKey of 5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is JEECTVWBTJDPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-9-13(15(19)20)7-12(21-9)8-17-14(18)6-10-2-4-11(16)5-3-10/h2-5,7H,6,8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 291.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 61023784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).