methyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate

C14H15ClN2O3 — CID 71862321

IUPACmethyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2c(Cl)cccc2C#N)CCO1
InChIInChI=1S/C14H15ClN2O3/c1-19-13(18)7-11-9-17(5-6-20-11)14-10(8-16)3-2-4-12(14)15/h2-4,11H,5-7,9H2,1H3
InChIKeyHNFHRLLDOHXFOU-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.98
Rot. Bonds3

About methyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate

methyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate (PubChem CID 71862321) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is methyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate
PubChem CID71862321
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Namemethyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2c(Cl)cccc2C#N)CCO1
InChIInChI=1S/C14H15ClN2O3/c1-19-13(18)7-11-9-17(5-6-20-11)14-10(8-16)3-2-4-12(14)15/h2-4,11H,5-7,9H2,1H3
InChIKeyHNFHRLLDOHXFOU-UHFFFAOYSA-N
XLogP1.98
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate
CID 71862322
Methyl 2-[4-(2-cyano-3-fluorophenyl)morpholin-2-yl]acetate
CID 79770516
methyl 2-[(2R)-4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate
CID 96999164
methyl 2-[(2S)-4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate
CID 96999165
3-Chloro-2-[3-(2-hydroxyethoxy)piperidin-1-yl]benzonitrile
CID 75422655
1-(2-Chloro-6-cyanophenyl)-4-methylpiperidine-4-carboxylic acid
CID 146092891
3-Chloro-4-(3-ethoxypiperidin-1-yl)benzonitrile
CID 55181212
3-Chloro-2-(3-hydroxypiperidin-1-yl)benzonitrile
CID 60289836
Ethyl 1-(3-chloro-2-cyanophenyl)piperidine-4-carboxylate
CID 60678031
Methyl 1-(4-chloro-2-cyanophenyl)piperidine-4-carboxylate
CID 62492709
methyl 4-(4-chloro-2-cyano-N-methylanilino)butanoate
CID 62493721
5-Chloro-2-(3-propoxypiperidin-1-yl)benzonitrile
CID 62494419

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate (CID 71862321) is methyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate is COC(=O)CC1CN(c2c(Cl)cccc2C#N)CCO1.
What is the InChIKey of methyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate?
The InChIKey is HNFHRLLDOHXFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-19-13(18)7-11-9-17(5-6-20-11)14-10(8-16)3-2-4-12(14)15/h2-4,11H,5-7,9H2,1H3.
What are the key properties of methyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate?
methyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate has a molecular weight of 294.74 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate is sourced from PubChem (CID 71862321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).