[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

C18H22ClNO3 — CID 4230049

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESO=C(COC(=O)CC1CC2CCC1C2)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO3/c19-16-5-2-12(3-6-16)10-20-17(21)11-23-18(22)9-15-8-13-1-4-14(15)7-13/h2-3,5-6,13-15H,1,4,7-11H2,(H,20,21)
InChIKeyZLIIZTVRUPYOHO-UHFFFAOYSA-N
MW335.83 g/mol
LogP3.33
Rot. Bonds6

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 4230049) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID4230049
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESO=C(COC(=O)CC1CC2CCC1C2)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO3/c19-16-5-2-12(3-6-16)10-20-17(21)11-23-18(22)9-15-8-13-1-4-14(15)7-13/h2-3,5-6,13-15H,1,4,7-11H2,(H,20,21)
InChIKeyZLIIZTVRUPYOHO-UHFFFAOYSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate
CID 4962992
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 2428350
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-phenylbutanoate
CID 4876593
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2100301
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 2434372
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544649
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] cyclohexanecarboxylate
CID 4072806
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4167932
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate
CID 4279960
[2-(Benzylamino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4460791
[(2-Phenylethyl)carbamoyl]methyl 2-(4-chlorophenyl)acetate
CID 2353505
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 3250719

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 4230049) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is O=C(COC(=O)CC1CC2CCC1C2)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is ZLIIZTVRUPYOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3/c19-16-5-2-12(3-6-16)10-20-17(21)11-23-18(22)9-15-8-13-1-4-14(15)7-13/h2-3,5-6,13-15H,1,4,7-11H2,(H,20,21).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 335.83 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 4230049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).