2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide

C16H22Br2N2O — CID 106612246

IUPAC2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C16H22Br2N2O/c1-2-3-9-20(11-13-5-4-8-19-13)16(21)14-10-12(17)6-7-15(14)18/h6-7,10,13,19H,2-5,8-9,11H2,1H3
InChIKeyBJWXYUUZHXCIMA-UHFFFAOYSA-N
MW418.17 g/mol
LogP4.21
Rot. Bonds6

About 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide

2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106612246) has the molecular formula C16H22Br2N2O and a molecular weight of 418.17 g/mol. Its IUPAC name is 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106612246
Molecular FormulaC16H22Br2N2O
Molecular Weight418.17 g/mol
Exact Mass416.01
IUPAC Name2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C16H22Br2N2O/c1-2-3-9-20(11-13-5-4-8-19-13)16(21)14-10-12(17)6-7-15(14)18/h6-7,10,13,19H,2-5,8-9,11H2,1H3
InChIKeyBJWXYUUZHXCIMA-UHFFFAOYSA-N
XLogP4.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.17
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107940286
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106612024
5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609221
N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844
N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611857
2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611910
3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 107520350
N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612084
5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106612185
N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612263
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106612246) is 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide is CCCCN(CC1CCCN1)C(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is BJWXYUUZHXCIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Br2N2O/c1-2-3-9-20(11-13-5-4-8-19-13)16(21)14-10-12(17)6-7-15(14)18/h6-7,10,13,19H,2-5,8-9,11H2,1H3.
What are the key properties of 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide?
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 418.17 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106612246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).