methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate

C15H18Br2N2O3 — CID 60597140

IUPACmethyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC(=O)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C15H18Br2N2O3/c1-9-6-10(16)14(11(17)7-9)18-13(20)8-19-5-3-4-12(19)15(21)22-2/h6-7,12H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyDZIFQQPDHYCXLB-UHFFFAOYSA-N
MW434.13 g/mol
LogP3.10
Rot. Bonds4

About methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate

methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 60597140) has the molecular formula C15H18Br2N2O3 and a molecular weight of 434.13 g/mol. Its IUPAC name is methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID60597140
Molecular FormulaC15H18Br2N2O3
Molecular Weight434.13 g/mol
Exact Mass431.97
IUPAC Namemethyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC(=O)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C15H18Br2N2O3/c1-9-6-10(16)14(11(17)7-9)18-13(20)8-19-5-3-4-12(19)15(21)22-2/h6-7,12H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyDZIFQQPDHYCXLB-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.13
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dibromo-4-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 46801135
methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62025955
methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 2402497
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027861
1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909298
methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62025965
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 102977405
methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027860
methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027276
(2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide
CID 41292691
N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962201
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 62028427

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate (CID 60597140) is methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1CC(=O)Nc1c(Br)cc(C)cc1Br.
What is the InChIKey of methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is DZIFQQPDHYCXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2N2O3/c1-9-6-10(16)14(11(17)7-9)18-13(20)8-19-5-3-4-12(19)15(21)22-2/h6-7,12H,3-5,8H2,1-2H3,(H,18,20).
What are the key properties of methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 434.13 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 60597140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).