N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide

C13H17Br2N3O — CID 63301508

IUPACN-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cc1Br)C1CCNC1
InChIInChI=1S/C13H17Br2N3O/c1-18(10-4-5-16-7-10)8-13(19)17-12-3-2-9(14)6-11(12)15/h2-3,6,10,16H,4-5,7-8H2,1H3,(H,17,19)
InChIKeyMGBITELUYOXCEF-UHFFFAOYSA-N
MW391.11 g/mol
LogP2.44
Rot. Bonds4

About N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide

N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 63301508) has the molecular formula C13H17Br2N3O and a molecular weight of 391.11 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID63301508
Molecular FormulaC13H17Br2N3O
Molecular Weight391.11 g/mol
Exact Mass388.97
IUPAC NameN-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cc1Br)C1CCNC1
InChIInChI=1S/C13H17Br2N3O/c1-18(10-4-5-16-7-10)8-13(19)17-12-3-2-9(14)6-11(12)15/h2-3,6,10,16H,4-5,7-8H2,1H3,(H,17,19)
InChIKeyMGBITELUYOXCEF-UHFFFAOYSA-N
XLogP2.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.11
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922743
N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642312
N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607565
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 63298307
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
CID 119922827
2-[methyl(pyrrolidin-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 63297765
N-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607437
N-(2-ethoxyphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63298223
N-(4-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922897
N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607229
N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807310
2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 114018493

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide (CID 63301508) is N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide is CN(CC(=O)Nc1ccc(Br)cc1Br)C1CCNC1.
What is the InChIKey of N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is MGBITELUYOXCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2N3O/c1-18(10-4-5-16-7-10)8-13(19)17-12-3-2-9(14)6-11(12)15/h2-3,6,10,16H,4-5,7-8H2,1H3,(H,17,19).
What are the key properties of N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 391.11 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 63301508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).