N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide

C12H13Br2ClN2O — CID 114209112

IUPACN-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C12H13Br2ClN2O/c13-9-4-7(15)5-10(14)12(9)17-11(18)6-8-2-1-3-16-8/h4-5,8,16H,1-3,6H2,(H,17,18)
InChIKeyLGCBLXZXQCTKMJ-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.95
Rot. Bonds3

About N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide

N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 114209112) has the molecular formula C12H13Br2ClN2O and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide
PubChem CID114209112
Molecular FormulaC12H13Br2ClN2O
Molecular Weight396.51 g/mol
Exact Mass393.91
IUPAC NameN-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C12H13Br2ClN2O/c13-9-4-7(15)5-10(14)12(9)17-11(18)6-8-2-1-3-16-8/h4-5,8,16H,1-3,6H2,(H,17,18)
InChIKeyLGCBLXZXQCTKMJ-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide
CID 81270551
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-(2-bromophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371785
N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 102853687
N-(3-bromo-4-iodophenyl)-2-pyrrolidin-2-ylacetamide
CID 113266600
5-chloro-2-[(2-pyrrolidin-2-ylacetyl)amino]benzoic acid
CID 61365655
2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806355
N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119753695
5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 61363711
N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 112741904
N-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61365224
N-(3-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylacetamide
CID 82864392

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide (CID 114209112) is N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1c(Br)cc(Cl)cc1Br.
What is the InChIKey of N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is LGCBLXZXQCTKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2ClN2O/c13-9-4-7(15)5-10(14)12(9)17-11(18)6-8-2-1-3-16-8/h4-5,8,16H,1-3,6H2,(H,17,18).
What are the key properties of N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide?
N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 396.51 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 114209112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).