5-(2,4-dichloroanilino)furan-2-carboxylic acid

C11H7Cl2NO3 — CID 62204584

IUPAC5-(2,4-dichloroanilino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C11H7Cl2NO3/c12-6-1-2-8(7(13)5-6)14-10-4-3-9(17-10)11(15)16/h1-5,14H,(H,15,16)
InChIKeyGQJQBYNMISHJCV-UHFFFAOYSA-N
MW272.09 g/mol
LogP4.03
Rot. Bonds3

About 5-(2,4-dichloroanilino)furan-2-carboxylic acid

5-(2,4-dichloroanilino)furan-2-carboxylic acid (PubChem CID 62204584) has the molecular formula C11H7Cl2NO3 and a molecular weight of 272.09 g/mol. Its IUPAC name is 5-(2,4-dichloroanilino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dichloroanilino)furan-2-carboxylic acid
PubChem CID62204584
Molecular FormulaC11H7Cl2NO3
Molecular Weight272.09 g/mol
Exact Mass270.98
IUPAC Name5-(2,4-dichloroanilino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C11H7Cl2NO3/c12-6-1-2-8(7(13)5-6)14-10-4-3-9(17-10)11(15)16/h1-5,14H,(H,15,16)
InChIKeyGQJQBYNMISHJCV-UHFFFAOYSA-N
XLogP4.03
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid
CID 81270530
5-(5-chloro-2-methoxyanilino)furan-2-carboxylic acid
CID 62204586
5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid
CID 62206911
5-[1-(2,4-dichlorophenyl)ethyl]furan-2-carboxylic acid
CID 21387563
5-[(2,4-dichlorophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 20992418
5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid
CID 104849557
5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid
CID 66477754
methyl 5-[1-(2,4-dichloroanilino)ethyl]furan-2-carboxylate
CID 103232280
5-[1-(2,5-dichlorophenyl)sulfanylethyl]furan-2-carboxylic acid
CID 22685286
4-(2,4-dichloroanilino)-3-nitrobenzoic acid
CID 30053169
5-acetamido-N-(4-chloro-2-methylphenyl)furan-2-carboxamide
CID 110699924
5-[(4-chloro-2-fluorophenyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106946463

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichloroanilino)furan-2-carboxylic acid?
The IUPAC name of 5-(2,4-dichloroanilino)furan-2-carboxylic acid (CID 62204584) is 5-(2,4-dichloroanilino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2,4-dichloroanilino)furan-2-carboxylic acid?
The canonical SMILES for 5-(2,4-dichloroanilino)furan-2-carboxylic acid is O=C(O)c1ccc(Nc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 5-(2,4-dichloroanilino)furan-2-carboxylic acid?
The InChIKey is GQJQBYNMISHJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO3/c12-6-1-2-8(7(13)5-6)14-10-4-3-9(17-10)11(15)16/h1-5,14H,(H,15,16).
What are the key properties of 5-(2,4-dichloroanilino)furan-2-carboxylic acid?
5-(2,4-dichloroanilino)furan-2-carboxylic acid has a molecular weight of 272.09 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichloroanilino)furan-2-carboxylic acid is sourced from PubChem (CID 62204584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).