4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide

C15H21BrN2O — CID 63300963

IUPAC4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1ccc(Br)cc1C)C1CCNC1
InChIInChI=1S/C15H21BrN2O/c1-3-8-18(13-6-7-17-10-13)15(19)14-5-4-12(16)9-11(14)2/h4-5,9,13,17H,3,6-8,10H2,1-2H3
InChIKeyLGTIRYHVWPWLLT-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.97
Rot. Bonds4

About 4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide

4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 63300963) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
PubChem CID63300963
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1ccc(Br)cc1C)C1CCNC1
InChIInChI=1S/C15H21BrN2O/c1-3-8-18(13-6-7-17-10-13)15(19)14-5-4-12(16)9-11(14)2/h4-5,9,13,17H,3,6-8,10H2,1-2H3
InChIKeyLGTIRYHVWPWLLT-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056
4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide
CID 63637268
4-methyl-6-oxo-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 124612474
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300965
5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119531290
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119529988
2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 107732095
3-[(4-bromo-2-methylbenzoyl)-cyclopropylamino]propanoic acid
CID 60845609
2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 106862150
2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
CID 107983067

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide (CID 63300963) is 4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide is CCCN(C(=O)c1ccc(Br)cc1C)C1CCNC1.
What is the InChIKey of 4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is LGTIRYHVWPWLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-3-8-18(13-6-7-17-10-13)15(19)14-5-4-12(16)9-11(14)2/h4-5,9,13,17H,3,6-8,10H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide?
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 325.25 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 63300963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).