methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate

C15H15ClN2O2 — CID 60992065

IUPACmethyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate
SMILESCOC(=O)C(C)(Nc1ccccc1Cl)c1ccncc1
InChIInChI=1S/C15H15ClN2O2/c1-15(14(19)20-2,11-7-9-17-10-8-11)18-13-6-4-3-5-12(13)16/h3-10,18H,1-2H3
InChIKeyCPTHOQPKJMKSKS-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.24
Rot. Bonds4

About methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate

methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate (PubChem CID 60992065) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate
PubChem CID60992065
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Namemethyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate
SMILESCOC(=O)C(C)(Nc1ccccc1Cl)c1ccncc1
InChIInChI=1S/C15H15ClN2O2/c1-15(14(19)20-2,11-7-9-17-10-8-11)18-13-6-4-3-5-12(13)16/h3-10,18H,1-2H3
InChIKeyCPTHOQPKJMKSKS-UHFFFAOYSA-N
XLogP3.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate
CID 60994884
methyl 2-(2-chloroanilino)-2-methylpropanoate
CID 60990978
methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate
CID 60992066
methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate
CID 60994077
2-(2-chloroanilino)-2-phenylpropanamide
CID 54891167
2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid
CID 60991517
methyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate
CID 60994852
methyl 2-methyl-2-pyridin-4-ylpropanoate
CID 57421204
methyl 2-(propylamino)-2-pyridin-4-ylpropanoate
CID 60795990
methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate
CID 60992232
methyl 2-(2-bromoanilino)-2-(4-fluorophenyl)propanoate
CID 60994120
2-(2-chloroanilino)-2-(3-methoxyphenyl)propanamide
CID 60996698

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate?
The IUPAC name of methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate (CID 60992065) is methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate.
What is the SMILES notation for methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate?
The canonical SMILES for methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate is COC(=O)C(C)(Nc1ccccc1Cl)c1ccncc1.
What is the InChIKey of methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate?
The InChIKey is CPTHOQPKJMKSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-15(14(19)20-2,11-7-9-17-10-8-11)18-13-6-4-3-5-12(13)16/h3-10,18H,1-2H3.
What are the key properties of methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate?
methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate has a molecular weight of 290.75 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate is sourced from PubChem (CID 60992065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).