2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide

C12H14Br2N2O — CID 114018493

IUPAC2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(Br)cc1Br)C1CCNC1
InChIInChI=1S/C12H14Br2N2O/c1-16(9-4-5-15-7-9)12(17)10-3-2-8(13)6-11(10)14/h2-3,6,9,15H,4-5,7H2,1H3
InChIKeyRVUYASBQLGECHX-UHFFFAOYSA-N
MW362.07 g/mol
LogP2.65
Rot. Bonds2

About 2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide

2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 114018493) has the molecular formula C12H14Br2N2O and a molecular weight of 362.07 g/mol. Its IUPAC name is 2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID114018493
Molecular FormulaC12H14Br2N2O
Molecular Weight362.07 g/mol
Exact Mass359.95
IUPAC Name2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(Br)cc1Br)C1CCNC1
InChIInChI=1S/C12H14Br2N2O/c1-16(9-4-5-15-7-9)12(17)10-3-2-8(13)6-11(10)14/h2-3,6,9,15H,4-5,7H2,1H3
InChIKeyRVUYASBQLGECHX-UHFFFAOYSA-N
XLogP2.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.07
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 63641753
4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 115369622
2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
CID 107939910
N-(azepan-4-yl)-4-bromo-N,2-dimethylbenzamide
CID 104974736
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
2-bromo-N-methyl-4-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442882
2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 107732093
N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
CID 119550200
N,2-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119554205
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide (CID 114018493) is 2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide is CN(C(=O)c1ccc(Br)cc1Br)C1CCNC1.
What is the InChIKey of 2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is RVUYASBQLGECHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O/c1-16(9-4-5-15-7-9)12(17)10-3-2-8(13)6-11(10)14/h2-3,6,9,15H,4-5,7H2,1H3.
What are the key properties of 2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide?
2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 362.07 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 114018493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).