[2-(2-chloroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

C17H20ClNO3 — CID 3668387

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESO=C(COC(=O)CC1CC2CCC1C2)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClNO3/c18-14-3-1-2-4-15(14)19-16(20)10-22-17(21)9-13-8-11-5-6-12(13)7-11/h1-4,11-13H,5-10H2,(H,19,20)
InChIKeyZMOMTSYVMWLGBA-UHFFFAOYSA-N
MW321.80 g/mol
LogP3.65
Rot. Bonds5

About [2-(2-chloroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

[2-(2-chloroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 3668387) has the molecular formula C17H20ClNO3 and a molecular weight of 321.80 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID3668387
Molecular FormulaC17H20ClNO3
Molecular Weight321.80 g/mol
Exact Mass321.11
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESO=C(COC(=O)CC1CC2CCC1C2)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClNO3/c18-14-3-1-2-4-15(14)19-16(20)10-22-17(21)9-13-8-11-5-6-12(13)7-11/h1-4,11-13H,5-10H2,(H,19,20)
InChIKeyZMOMTSYVMWLGBA-UHFFFAOYSA-N
XLogP3.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2431096
[2-(2-Fluoroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4230491
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4348199
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4348741
[2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2355202
[2-(4-Chloroanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2380251
[2-(2,6-Dichloroanilino)-2-oxoethyl] 2-phenylbutanoate
CID 3484353
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4085368
[2-(4-Fluoroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4225943
[2-(2,5-Dichloroanilino)-2-oxoethyl] 2-phenylbutanoate
CID 4345007
[2-(2,6-Dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate
CID 4801740
[2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2380699

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 3668387) is [2-(2-chloroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is O=C(COC(=O)CC1CC2CCC1C2)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is ZMOMTSYVMWLGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3/c18-14-3-1-2-4-15(14)19-16(20)10-22-17(21)9-13-8-11-5-6-12(13)7-11/h1-4,11-13H,5-10H2,(H,19,20).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
[2-(2-chloroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 321.80 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 3668387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).