5-chloro-2-[[3-(furan-3-yl)benzoyl]amino]benzoic acid

C18H12ClNO4 — CID 46935554

IUPAC5-chloro-2-[[3-(furan-3-yl)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2ccoc2)c1
InChIInChI=1S/C18H12ClNO4/c19-14-4-5-16(15(9-14)18(22)23)20-17(21)12-3-1-2-11(8-12)13-6-7-24-10-13/h1-10H,(H,20,21)(H,22,23)
InChIKeyDZQSLFYXCUTPIJ-UHFFFAOYSA-N
MW341.75 g/mol
LogP4.55
Rot. Bonds4

About 5-chloro-2-[[3-(furan-3-yl)benzoyl]amino]benzoic acid

5-chloro-2-[[3-(furan-3-yl)benzoyl]amino]benzoic acid (PubChem CID 46935554) has the molecular formula C18H12ClNO4 and a molecular weight of 341.75 g/mol. Its IUPAC name is 5-chloro-2-[[3-(furan-3-yl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[3-(furan-3-yl)benzoyl]amino]benzoic acid
PubChem CID46935554
Molecular FormulaC18H12ClNO4
Molecular Weight341.75 g/mol
Exact Mass341.05
IUPAC Name5-chloro-2-[[3-(furan-3-yl)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2ccoc2)c1
InChIInChI=1S/C18H12ClNO4/c19-14-4-5-16(15(9-14)18(22)23)20-17(21)12-3-1-2-11(8-12)13-6-7-24-10-13/h1-10H,(H,20,21)(H,22,23)
InChIKeyDZQSLFYXCUTPIJ-UHFFFAOYSA-N
XLogP4.55
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-Chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid
CID 146019238
2-{[(4-Chloro-2-methylphenoxy)acetyl]amino}benzoic acid
CID 839534
2-[(2E)-2-Cyano-3-[5-(2,5-dichlorophenyl)furan-2-YL]prop-2-enamido]benzoic acid
CID 15991112
5-Chloro-2-([(2-([3-(furan-2-yl)phenyl]amino)-2-oxoethoxy)acetyl]amino)benzoic acid
CID 44250551
5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid
CID 44251374
2-{[3-(2-Furyl)acryloyl]amino}benzoic acid
CID 879444
2-[2-(1-Benzofuran-5-yl)-3-chloroanilino]benzoic acid
CID 156018329
5-Chloro-2-[(3-octoxybenzoyl)amino]benzoic acid
CID 91970411
2-[3-((E)-3-Furan-2-yl-acryloylamino)-benzoylamino]-benzoic acid
CID 1025943
methyl 4-chloro-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoate
CID 2146469
7-chloro-3-[3-(furan-3-ylmethyl)phenyl]-4-hydroxy-1H-quinolin-2-one
CID 54698882
4-Chloro-2-{[3-(2-furyl)acryloyl]amino}benzoic acid
CID 763463

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[3-(furan-3-yl)benzoyl]amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[3-(furan-3-yl)benzoyl]amino]benzoic acid (CID 46935554) is 5-chloro-2-[[3-(furan-3-yl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[3-(furan-3-yl)benzoyl]amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[3-(furan-3-yl)benzoyl]amino]benzoic acid is O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2ccoc2)c1.
What is the InChIKey of 5-chloro-2-[[3-(furan-3-yl)benzoyl]amino]benzoic acid?
The InChIKey is DZQSLFYXCUTPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO4/c19-14-4-5-16(15(9-14)18(22)23)20-17(21)12-3-1-2-11(8-12)13-6-7-24-10-13/h1-10H,(H,20,21)(H,22,23).
What are the key properties of 5-chloro-2-[[3-(furan-3-yl)benzoyl]amino]benzoic acid?
5-chloro-2-[[3-(furan-3-yl)benzoyl]amino]benzoic acid has a molecular weight of 341.75 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[3-(furan-3-yl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 46935554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).