3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid

C25H19NO5 — CID 17386602

IUPAC3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(COc3ccc(-c4ccccc4)cc3)o2)c1
InChIInChI=1S/C25H19NO5/c27-24(26-20-8-4-7-19(15-20)25(28)29)23-14-13-22(31-23)16-30-21-11-9-18(10-12-21)17-5-2-1-3-6-17/h1-15H,16H2,(H,26,27)(H,28,29)
InChIKeyZCBSXUTVQQXDTE-UHFFFAOYSA-N
MW413.43 g/mol
LogP5.48
Rot. Bonds7

About 3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid

3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid (PubChem CID 17386602) has the molecular formula C25H19NO5 and a molecular weight of 413.43 g/mol. Its IUPAC name is 3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
PubChem CID17386602
Molecular FormulaC25H19NO5
Molecular Weight413.43 g/mol
Exact Mass413.13
IUPAC Name3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(COc3ccc(-c4ccccc4)cc3)o2)c1
InChIInChI=1S/C25H19NO5/c27-24(26-20-8-4-7-19(15-20)25(28)29)23-14-13-22(31-23)16-30-21-11-9-18(10-12-21)17-5-2-1-3-6-17/h1-15H,16H2,(H,26,27)(H,28,29)
InChIKeyZCBSXUTVQQXDTE-UHFFFAOYSA-N
XLogP5.48
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.43
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 53054149
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9245570
5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19463303
5-(phenoxymethyl)-N-(3-sulfamoylphenyl)furan-2-carboxamide
CID 9413056
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26774462
5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
CID 166185177
5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide
CID 19412894
3-[(4-phenylphenoxy)methyl]benzoic acid
CID 18707489

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid?
The IUPAC name of 3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid (CID 17386602) is 3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2ccc(COc3ccc(-c4ccccc4)cc3)o2)c1.
What is the InChIKey of 3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid?
The InChIKey is ZCBSXUTVQQXDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO5/c27-24(26-20-8-4-7-19(15-20)25(28)29)23-14-13-22(31-23)16-30-21-11-9-18(10-12-21)17-5-2-1-3-6-17/h1-15H,16H2,(H,26,27)(H,28,29).
What are the key properties of 3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid?
3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid has a molecular weight of 413.43 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 17386602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).