5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid

C18H12ClNO5 — CID 28670286

IUPAC5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C18H12ClNO5/c19-11-3-1-2-10(8-11)15-6-7-16(25-15)17(22)20-12-4-5-14(21)13(9-12)18(23)24/h1-9,21H,(H,20,22)(H,23,24)
InChIKeyXBJUAYDEOSUWBI-UHFFFAOYSA-N
MW357.75 g/mol
LogP4.26
Rot. Bonds4

About 5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid

5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid (PubChem CID 28670286) has the molecular formula C18H12ClNO5 and a molecular weight of 357.75 g/mol. Its IUPAC name is 5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
PubChem CID28670286
Molecular FormulaC18H12ClNO5
Molecular Weight357.75 g/mol
Exact Mass357.04
IUPAC Name5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C18H12ClNO5/c19-11-3-1-2-10(8-11)15-6-7-16(25-15)17(22)20-12-4-5-14(21)13(9-12)18(23)24/h1-9,21H,(H,20,22)(H,23,24)
InChIKeyXBJUAYDEOSUWBI-UHFFFAOYSA-N
XLogP4.26
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.75
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid
CID 59654716
5-(3-chlorophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 880701
5-(3-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide
CID 17102575
4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
CID 28669924
N-(3-benzamido-4-methylphenyl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 1344294
2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid
CID 28670699
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17111808
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 1348589
5-(3-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 22775537
N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 773409
N-(5-bromo-2-pyridinyl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 2281367
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17117990

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid (CID 28670286) is 5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid is O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid?
The InChIKey is XBJUAYDEOSUWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO5/c19-11-3-1-2-10(8-11)15-6-7-16(25-15)17(22)20-12-4-5-14(21)13(9-12)18(23)24/h1-9,21H,(H,20,22)(H,23,24).
What are the key properties of 5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid?
5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid has a molecular weight of 357.75 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 28670286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).