2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide

C15H21BrN2O — CID 81112056

IUPAC2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1cc(C)ccc1Br)C1CCNC1
InChIInChI=1S/C15H21BrN2O/c1-3-8-18(12-6-7-17-10-12)15(19)13-9-11(2)4-5-14(13)16/h4-5,9,12,17H,3,6-8,10H2,1-2H3
InChIKeyBNDDBOSWCSXZNS-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.97
Rot. Bonds4

About 2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide

2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 81112056) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
PubChem CID81112056
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1cc(C)ccc1Br)C1CCNC1
InChIInChI=1S/C15H21BrN2O/c1-3-8-18(12-6-7-17-10-12)15(19)13-9-11(2)4-5-14(13)16/h4-5,9,12,17H,3,6-8,10H2,1-2H3
InChIKeyBNDDBOSWCSXZNS-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

Analyze 2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide 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

2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide
CID 81005817
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300965
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119529988
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide
CID 63638310
2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 106862150
2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 81111905
2-bromo-N-(2-bromoethyl)-N-cyclobutyl-5-methylbenzamide
CID 102872929
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 107732095

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide (CID 81112056) is 2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide is CCCN(C(=O)c1cc(C)ccc1Br)C1CCNC1.
What is the InChIKey of 2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is BNDDBOSWCSXZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-3-8-18(12-6-7-17-10-12)15(19)13-9-11(2)4-5-14(13)16/h4-5,9,12,17H,3,6-8,10H2,1-2H3.
What are the key properties of 2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide?
2-bromo-5-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 2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 81112056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).