methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate

C15H19ClN2O3 — CID 112731413

IUPACmethyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)Nc2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O3/c1-10-3-4-12(7-13(10)16)17-14(19)9-18-6-5-11(8-18)15(20)21-2/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeySVPNJDRSOUSNDK-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.08
Rot. Bonds4

About methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate

methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate (PubChem CID 112731413) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
PubChem CID112731413
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Namemethyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)Nc2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O3/c1-10-3-4-12(7-13(10)16)17-14(19)9-18-6-5-11(8-18)15(20)21-2/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeySVPNJDRSOUSNDK-UHFFFAOYSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(4-bromoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47286802
methyl 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742544
methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47287034
N-(3-chloro-4-methylphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909629
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923478
N-(3-chloro-4-methylphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909395
methyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742206
methyl 1-[2-(4-iodo-2-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731432
N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448449
N-(3-chloro-4-methylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55841590
N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910107

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate (CID 112731413) is methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate is COC(=O)C1CCN(CC(=O)Nc2ccc(C)c(Cl)c2)C1.
What is the InChIKey of methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate?
The InChIKey is SVPNJDRSOUSNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-3-4-12(7-13(10)16)17-14(19)9-18-6-5-11(8-18)15(20)21-2/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,17,19).
What are the key properties of methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate?
methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate has a molecular weight of 310.78 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 112731413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).