2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid

C13H9ClFNO4 — CID 176914450

IUPAC2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(-c2cc(F)cc(Cl)c2)o1
InChIInChI=1S/C13H9ClFNO4/c14-8-3-7(4-9(15)5-8)10-1-2-11(20-10)13(19)16-6-12(17)18/h1-5H,6H2,(H,16,19)(H,17,18)
InChIKeyMCDSILRCNJAEKF-UHFFFAOYSA-N
MW297.67 g/mol
LogP2.55
Rot. Bonds4

About 2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid

2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid (PubChem CID 176914450) has the molecular formula C13H9ClFNO4 and a molecular weight of 297.67 g/mol. Its IUPAC name is 2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid
PubChem CID176914450
Molecular FormulaC13H9ClFNO4
Molecular Weight297.67 g/mol
Exact Mass297.02
IUPAC Name2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(-c2cc(F)cc(Cl)c2)o1
InChIInChI=1S/C13H9ClFNO4/c14-8-3-7(4-9(15)5-8)10-1-2-11(20-10)13(19)16-6-12(17)18/h1-5H,6H2,(H,16,19)(H,17,18)
InChIKeyMCDSILRCNJAEKF-UHFFFAOYSA-N
XLogP2.55
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid (CID 176914450) is 2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(-c2cc(F)cc(Cl)c2)o1.
What is the InChIKey of 2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid?
The InChIKey is MCDSILRCNJAEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO4/c14-8-3-7(4-9(15)5-8)10-1-2-11(20-10)13(19)16-6-12(17)18/h1-5H,6H2,(H,16,19)(H,17,18).
What are the key properties of 2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid?
2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid has a molecular weight of 297.67 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 176914450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).