5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid

C20H16ClNO5 — CID 142738111

IUPAC5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid
SMILESCc1cc(Cl)cc(C(=O)O)c1NC(=O)COc1cccc(-c2ccoc2)c1
InChIInChI=1S/C20H16ClNO5/c1-12-7-15(21)9-17(20(24)25)19(12)22-18(23)11-27-16-4-2-3-13(8-16)14-5-6-26-10-14/h2-10H,11H2,1H3,(H,22,23)(H,24,25)
InChIKeyAUQUSBUKEMAZGM-UHFFFAOYSA-N
MW385.80 g/mol
LogP4.62
Rot. Bonds6

About 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid

5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid (PubChem CID 142738111) has the molecular formula C20H16ClNO5 and a molecular weight of 385.80 g/mol. Its IUPAC name is 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid
PubChem CID142738111
Molecular FormulaC20H16ClNO5
Molecular Weight385.80 g/mol
Exact Mass385.07
IUPAC Name5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid
SMILESCc1cc(Cl)cc(C(=O)O)c1NC(=O)COc1cccc(-c2ccoc2)c1
InChIInChI=1S/C20H16ClNO5/c1-12-7-15(21)9-17(20(24)25)19(12)22-18(23)11-27-16-4-2-3-13(8-16)14-5-6-26-10-14/h2-10H,11H2,1H3,(H,22,23)(H,24,25)
InChIKeyAUQUSBUKEMAZGM-UHFFFAOYSA-N
XLogP4.62
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid
CID 46935642
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide
CID 11188643
5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid
CID 66680457
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
CID 19174206
5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid
CID 66680638
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661
3-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707298
2-(3-chlorophenoxy)-N-(2-phenylphenyl)acetamide
CID 7818854
N-(3-chlorophenyl)-2-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 45032369
3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid
CID 43358370
2-(3,5-dichlorophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 7467237
N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032393

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid?
The IUPAC name of 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid (CID 142738111) is 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid.
What is the SMILES notation for 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid?
The canonical SMILES for 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid is Cc1cc(Cl)cc(C(=O)O)c1NC(=O)COc1cccc(-c2ccoc2)c1.
What is the InChIKey of 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid?
The InChIKey is AUQUSBUKEMAZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO5/c1-12-7-15(21)9-17(20(24)25)19(12)22-18(23)11-27-16-4-2-3-13(8-16)14-5-6-26-10-14/h2-10H,11H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid?
5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid has a molecular weight of 385.80 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid is sourced from PubChem (CID 142738111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).