5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid

C20H16ClNO4 — CID 66680638

IUPAC5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid
SMILESO=C(CCc1cccc(-c2ccoc2)c1)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C20H16ClNO4/c21-16-5-6-18(17(11-16)20(24)25)22-19(23)7-4-13-2-1-3-14(10-13)15-8-9-26-12-15/h1-3,5-6,8-12H,4,7H2,(H,22,23)(H,24,25)
InChIKeyFCVYOUUOTCTNAB-UHFFFAOYSA-N
MW369.80 g/mol
LogP4.87
Rot. Bonds6

About 5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid

5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid (PubChem CID 66680638) has the molecular formula C20H16ClNO4 and a molecular weight of 369.80 g/mol. Its IUPAC name is 5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid
PubChem CID66680638
Molecular FormulaC20H16ClNO4
Molecular Weight369.80 g/mol
Exact Mass369.08
IUPAC Name5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid
SMILESO=C(CCc1cccc(-c2ccoc2)c1)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C20H16ClNO4/c21-16-5-6-18(17(11-16)20(24)25)22-19(23)7-4-13-2-1-3-14(10-13)15-8-9-26-12-15/h1-3,5-6,8-12H,4,7H2,(H,22,23)(H,24,25)
InChIKeyFCVYOUUOTCTNAB-UHFFFAOYSA-N
XLogP4.87
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.80
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid?
The IUPAC name of 5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid (CID 66680638) is 5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid?
The canonical SMILES for 5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid is O=C(CCc1cccc(-c2ccoc2)c1)Nc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid?
The InChIKey is FCVYOUUOTCTNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO4/c21-16-5-6-18(17(11-16)20(24)25)22-19(23)7-4-13-2-1-3-14(10-13)15-8-9-26-12-15/h1-3,5-6,8-12H,4,7H2,(H,22,23)(H,24,25).
What are the key properties of 5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid?
5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid has a molecular weight of 369.80 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid is sourced from PubChem (CID 66680638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).