2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid

C19H15NO4 — CID 11220940

IUPAC2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2ccc(-c3ccccc3)o2)c1
InChIInChI=1S/C19H15NO4/c21-18(22)12-13-5-4-8-15(11-13)20-19(23)17-10-9-16(24-17)14-6-2-1-3-7-14/h1-11H,12H2,(H,20,23)(H,21,22)
InChIKeyUQULVJQYLIOOGC-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.83
Rot. Bonds5

About 2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid

2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid (PubChem CID 11220940) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
PubChem CID11220940
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2ccc(-c3ccccc3)o2)c1
InChIInChI=1S/C19H15NO4/c21-18(22)12-13-5-4-8-15(11-13)20-19(23)17-10-9-16(24-17)14-6-2-1-3-7-14/h1-11H,12H2,(H,20,23)(H,21,22)
InChIKeyUQULVJQYLIOOGC-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-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid
CID 59654716
2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 59654726
methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate
CID 59654703
methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate
CID 59654833
methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
CID 59654678
2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 119352015
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753
N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 3127976
2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 81456260
N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689981
2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 59654667

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid (CID 11220940) is 2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)c2ccc(-c3ccccc3)o2)c1.
What is the InChIKey of 2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid?
The InChIKey is UQULVJQYLIOOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c21-18(22)12-13-5-4-8-15(11-13)20-19(23)17-10-9-16(24-17)14-6-2-1-3-7-14/h1-11H,12H2,(H,20,23)(H,21,22).
What are the key properties of 2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid?
2-[3-[(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-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 11220940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).