[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

C14H16ClNO4 — CID 5006665

IUPAC[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)C2CC2C)cc1Cl
InChIInChI=1S/C14H16ClNO4/c1-8-5-10(8)14(18)20-7-13(17)16-9-3-4-12(19-2)11(15)6-9/h3-4,6,8,10H,5,7H2,1-2H3,(H,16,17)
InChIKeyUNFOUWCLCXFEJB-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.49
Rot. Bonds5

About [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (PubChem CID 5006665) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
PubChem CID5006665
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)C2CC2C)cc1Cl
InChIInChI=1S/C14H16ClNO4/c1-8-5-10(8)14(18)20-7-13(17)16-9-3-4-12(19-2)11(15)6-9/h3-4,6,8,10H,5,7H2,1-2H3,(H,16,17)
InChIKeyUNFOUWCLCXFEJB-UHFFFAOYSA-N
XLogP2.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-[2-(3,4-dimethoxyanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020711
cis-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 9230598
trans-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019931
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146864
cis-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 2097889
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 2391050
trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 2097887
cis-[2-(2,6-dichloroanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 7778354
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate
CID 2715177
[2-(3-iodoanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 23912620
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 50935603
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (CID 5006665) is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is COc1ccc(NC(=O)COC(=O)C2CC2C)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The InChIKey is UNFOUWCLCXFEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-8-5-10(8)14(18)20-7-13(17)16-9-3-4-12(19-2)11(15)6-9/h3-4,6,8,10H,5,7H2,1-2H3,(H,16,17).
What are the key properties of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate has a molecular weight of 297.74 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 5006665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).