2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid

C18H12N2O7 — CID 28670699

IUPAC2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C18H12N2O7/c21-14-9-11(4-5-13(14)18(23)24)19-17(22)16-7-6-15(27-16)10-2-1-3-12(8-10)20(25)26/h1-9,21H,(H,19,22)(H,23,24)
InChIKeyVGQQNUBYDJVJIY-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.51
Rot. Bonds5

About 2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid

2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid (PubChem CID 28670699) has the molecular formula C18H12N2O7 and a molecular weight of 368.30 g/mol. Its IUPAC name is 2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid
PubChem CID28670699
Molecular FormulaC18H12N2O7
Molecular Weight368.30 g/mol
Exact Mass368.06
IUPAC Name2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C18H12N2O7/c21-14-9-11(4-5-13(14)18(23)24)19-17(22)16-7-6-15(27-16)10-2-1-3-12(8-10)20(25)26/h1-9,21H,(H,19,22)(H,23,24)
InChIKeyVGQQNUBYDJVJIY-UHFFFAOYSA-N
XLogP3.51
TPSA142.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753
N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 28670712
4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
CID 28669924
N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3614971
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3501966
5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
CID 28670286
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 17111809
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 23960391
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid (CID 28670699) is 2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid is O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of 2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid?
The InChIKey is VGQQNUBYDJVJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O7/c21-14-9-11(4-5-13(14)18(23)24)19-17(22)16-7-6-15(27-16)10-2-1-3-12(8-10)20(25)26/h1-9,21H,(H,19,22)(H,23,24).
What are the key properties of 2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid?
2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid has a molecular weight of 368.30 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 28670699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).