[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate

C22H19ClFNO5 — CID 55441437

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C22H19ClFNO5/c1-28-20-9-6-14(23)12-18(20)25-21(26)13-29-22(27)11-8-15-7-10-19(30-15)16-4-2-3-5-17(16)24/h2-7,9-10,12H,8,11,13H2,1H3,(H,25,26)
InChIKeyKXZSOEBFMCXCNW-UHFFFAOYSA-N
MW431.85 g/mol
LogP4.86
Rot. Bonds8

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate (PubChem CID 55441437) has the molecular formula C22H19ClFNO5 and a molecular weight of 431.85 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
PubChem CID55441437
Molecular FormulaC22H19ClFNO5
Molecular Weight431.85 g/mol
Exact Mass431.09
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C22H19ClFNO5/c1-28-20-9-6-14(23)12-18(20)25-21(26)13-29-22(27)11-8-15-7-10-19(30-15)16-4-2-3-5-17(16)24/h2-7,9-10,12H,8,11,13H2,1H3,(H,25,26)
InChIKeyKXZSOEBFMCXCNW-UHFFFAOYSA-N
XLogP4.86
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.85
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate with MolForge

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Related Compounds

[2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
CID 27058522
N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
CID 22587388
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate
CID 8627342
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 46628965
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 2326605
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 9404529
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate
CID 17261210
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671876
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871005
[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615244
[2-(3-acetylanilino)-2-oxoethyl] 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 17260747

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate (CID 55441437) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate is COc1ccc(Cl)cc1NC(=O)COC(=O)CCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?
The InChIKey is KXZSOEBFMCXCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFNO5/c1-28-20-9-6-14(23)12-18(20)25-21(26)13-29-22(27)11-8-15-7-10-19(30-15)16-4-2-3-5-17(16)24/h2-7,9-10,12H,8,11,13H2,1H3,(H,25,26).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate has a molecular weight of 431.85 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate is sourced from PubChem (CID 55441437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).