5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid

C14H14FNO3 — CID 63008488

IUPAC5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid
SMILESCC(Cc1ccc(F)cc1)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C14H14FNO3/c1-9(8-10-2-4-11(15)5-3-10)16-13-7-6-12(19-13)14(17)18/h2-7,9,16H,8H2,1H3,(H,17,18)
InChIKeyTYOHPRMFFGCVAA-UHFFFAOYSA-N
MW263.27 g/mol
LogP3.16
Rot. Bonds5

About 5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid

5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid (PubChem CID 63008488) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid
PubChem CID63008488
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid
SMILESCC(Cc1ccc(F)cc1)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C14H14FNO3/c1-9(8-10-2-4-11(15)5-3-10)16-13-7-6-12(19-13)14(17)18/h2-7,9,16H,8H2,1H3,(H,17,18)
InChIKeyTYOHPRMFFGCVAA-UHFFFAOYSA-N
XLogP3.16
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid
CID 62204950
5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid
CID 83176620
5-(6-methylheptan-2-ylamino)furan-2-carboxylic acid
CID 62205856
5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid
CID 62205149
2-fluoro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzoic acid
CID 115485422
5-(octan-2-ylamino)furan-2-carboxylic acid
CID 62206373
5-(1-cyclopropylethylamino)furan-2-carboxylic acid
CID 62205847
4-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]benzoic acid
CID 82776318
4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid
CID 63009703
3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369608
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570034

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid (CID 63008488) is 5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid is CC(Cc1ccc(F)cc1)Nc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid?
The InChIKey is TYOHPRMFFGCVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-9(8-10-2-4-11(15)5-3-10)16-13-7-6-12(19-13)14(17)18/h2-7,9,16H,8H2,1H3,(H,17,18).
What are the key properties of 5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid?
5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid is sourced from PubChem (CID 63008488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).