5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid

C14H14ClNO4 — CID 103233651

IUPAC5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid
SMILESCOc1ccc(Cl)cc1NC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H14ClNO4/c1-8(11-5-6-13(20-11)14(17)18)16-10-7-9(15)3-4-12(10)19-2/h3-8,16H,1-2H3,(H,17,18)
InChIKeyOISSREJLVNJVFE-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.81
Rot. Bonds5

About 5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid

5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid (PubChem CID 103233651) has the molecular formula C14H14ClNO4 and a molecular weight of 295.72 g/mol. Its IUPAC name is 5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid
PubChem CID103233651
Molecular FormulaC14H14ClNO4
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid
SMILESCOc1ccc(Cl)cc1NC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H14ClNO4/c1-8(11-5-6-13(20-11)14(17)18)16-10-7-9(15)3-4-12(10)19-2/h3-8,16H,1-2H3,(H,17,18)
InChIKeyOISSREJLVNJVFE-UHFFFAOYSA-N
XLogP3.81
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-2-methoxyanilino)furan-2-carboxylic acid
CID 62204586
5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947326
methyl 5-[1-(2,4-dichloroanilino)ethyl]furan-2-carboxylate
CID 103232280
2-(5-chloro-2-methoxyanilino)-3-methoxybutanoic acid
CID 112519910
5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol
CID 107704980
5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43106131
5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
CID 103257201
methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate
CID 43680654
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43110360
3-[1-(5-chloro-2-methoxyanilino)ethyl]phenol
CID 43193345
4-[(5-chloro-2-methoxyanilino)methyl]benzoic acid
CID 39398714

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid (CID 103233651) is 5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid is COc1ccc(Cl)cc1NC(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid?
The InChIKey is OISSREJLVNJVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4/c1-8(11-5-6-13(20-11)14(17)18)16-10-7-9(15)3-4-12(10)19-2/h3-8,16H,1-2H3,(H,17,18).
What are the key properties of 5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid?
5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid has a molecular weight of 295.72 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103233651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).