2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid

C13H10ClNO5 — CID 62033918

IUPAC2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C13H10ClNO5/c14-11-6-5-10(20-11)13(18)15-8-1-3-9(4-2-8)19-7-12(16)17/h1-6H,7H2,(H,15,18)(H,16,17)
InChIKeyHJRLEEWEBDWUHH-UHFFFAOYSA-N
MW295.68 g/mol
LogP2.65
Rot. Bonds5

About 2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid

2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid (PubChem CID 62033918) has the molecular formula C13H10ClNO5 and a molecular weight of 295.68 g/mol. Its IUPAC name is 2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid
PubChem CID62033918
Molecular FormulaC13H10ClNO5
Molecular Weight295.68 g/mol
Exact Mass295.02
IUPAC Name2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C13H10ClNO5/c14-11-6-5-10(20-11)13(18)15-8-1-3-9(4-2-8)19-7-12(16)17/h1-6H,7H2,(H,15,18)(H,16,17)
InChIKeyHJRLEEWEBDWUHH-UHFFFAOYSA-N
XLogP2.65
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.68
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 106690051
2-(4-benzamidophenoxy)acetic acid
CID 3830392
2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid
CID 107371543
2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid
CID 63745197
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
N-(4-carbamothioylphenyl)-5-chlorofuran-2-carboxamide
CID 106684857
2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79468837
2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid
CID 114030968
2-[4-(propan-2-yloxycarbonylamino)phenoxy]acetic acid
CID 63772697
2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid
CID 17172382
2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255846
2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid
CID 17172409

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid (CID 62033918) is 2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)c2ccc(Cl)o2)cc1.
What is the InChIKey of 2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is HJRLEEWEBDWUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO5/c14-11-6-5-10(20-11)13(18)15-8-1-3-9(4-2-8)19-7-12(16)17/h1-6H,7H2,(H,15,18)(H,16,17).
What are the key properties of 2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid?
2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 295.68 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 62033918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).