2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid

C19H15NO4 — CID 59654726

IUPAC2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2ccc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H15NO4/c21-18(22)12-13-6-8-15(9-7-13)20-19(23)17-11-10-16(24-17)14-4-2-1-3-5-14/h1-11H,12H2,(H,20,23)(H,21,22)
InChIKeyPDKJPDAEPMOIJR-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.83
Rot. Bonds5

About 2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid

2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid (PubChem CID 59654726) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
PubChem CID59654726
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2ccc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H15NO4/c21-18(22)12-13-6-8-15(9-7-13)20-19(23)17-11-10-16(24-17)14-4-2-1-3-5-14/h1-11H,12H2,(H,20,23)(H,21,22)
InChIKeyPDKJPDAEPMOIJR-UHFFFAOYSA-N
XLogP3.83
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 11220940
2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid
CID 59654716
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate
CID 175731652
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
(2S)-2-[(5-phenylfuran-2-carbonyl)amino]butanedioic acid
CID 169205444
5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide
CID 6129980
5-(4-chlorophenyl)-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]furan-2-carboxamide
CID 17115611
5-(4-acetylphenyl)-N-(4-methylphenyl)furan-2-carboxamide
CID 9291217
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
CID 108793560

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid (CID 59654726) is 2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)c2ccc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid?
The InChIKey is PDKJPDAEPMOIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c21-18(22)12-13-6-8-15(9-7-13)20-19(23)17-11-10-16(24-17)14-4-2-1-3-5-14/h1-11H,12H2,(H,20,23)(H,21,22).
What are the key properties of 2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid?
2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid has a molecular weight of 321.33 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 59654726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).