2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid

C20H16N2O6 — CID 17172382

IUPAC2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C20H16N2O6/c23-18(24)12-28-16-8-6-14(7-9-16)21-19(25)13-3-1-4-15(11-13)22-20(26)17-5-2-10-27-17/h1-11H,12H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyIOPZMBOPZJNUPE-UHFFFAOYSA-N
MW380.36 g/mol
LogP3.25
Rot. Bonds7

About 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid

2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid (PubChem CID 17172382) has the molecular formula C20H16N2O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid
PubChem CID17172382
Molecular FormulaC20H16N2O6
Molecular Weight380.36 g/mol
Exact Mass380.10
IUPAC Name2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C20H16N2O6/c23-18(24)12-28-16-8-6-14(7-9-16)21-19(25)13-3-1-4-15(11-13)22-20(26)17-5-2-10-27-17/h1-11H,12H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyIOPZMBOPZJNUPE-UHFFFAOYSA-N
XLogP3.25
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
2-(4-benzamidophenoxy)acetic acid
CID 3830392
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 26169104
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid
CID 17172409
N-[4-[(3-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 780805
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54822034
N-[3-[[2-[4-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54824284
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid (CID 17172382) is 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1.
What is the InChIKey of 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid?
The InChIKey is IOPZMBOPZJNUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6/c23-18(24)12-28-16-8-6-14(7-9-16)21-19(25)13-3-1-4-15(11-13)22-20(26)17-5-2-10-27-17/h1-11H,12H2,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid?
2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid has a molecular weight of 380.36 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 17172382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).