5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid

C14H12ClNO4 — CID 91687991

IUPAC5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid
SMILESCCC(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl
InChIInChI=1S/C14H12ClNO4/c1-2-13(17)16-10-7-8(3-4-9(10)15)11-5-6-12(20-11)14(18)19/h3-7H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyZTECRPFWHQZKIY-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.65
Rot. Bonds4

About 5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid

5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid (PubChem CID 91687991) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid
PubChem CID91687991
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid
SMILESCCC(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl
InChIInChI=1S/C14H12ClNO4/c1-2-13(17)16-10-7-8(3-4-9(10)15)11-5-6-12(20-11)14(18)19/h3-7H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyZTECRPFWHQZKIY-UHFFFAOYSA-N
XLogP3.65
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688518
5-[3-[(4-tert-butylbenzoyl)amino]-4-chlorophenyl]furan-2-carboxylic acid
CID 91688516
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(4-chlorophenyl)acetamide
CID 28666384
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide
CID 28665680
5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
CID 91688117
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91687940
5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid
CID 91687999
5-[4-chloro-3-(cyclohexanecarbonylcarbamothioylamino)phenyl]furan-2-carboxylic acid
CID 91687917
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide
CID 28666016
5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid
CID 91687982

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid (CID 91687991) is 5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid is CCC(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl.
What is the InChIKey of 5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid?
The InChIKey is ZTECRPFWHQZKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-2-13(17)16-10-7-8(3-4-9(10)15)11-5-6-12(20-11)14(18)19/h3-7H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid?
5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid has a molecular weight of 293.71 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 91687991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).