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

C15H21BrN2O2 — CID 63300965

IUPAC2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1cc(OC)ccc1Br)C1CCNC1
InChIInChI=1S/C15H21BrN2O2/c1-3-8-18(11-6-7-17-10-11)15(19)13-9-12(20-2)4-5-14(13)16/h4-5,9,11,17H,3,6-8,10H2,1-2H3
InChIKeyFNUSYDGKSLXRPX-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.67
Rot. Bonds5

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

2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 63300965) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
PubChem CID63300965
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1cc(OC)ccc1Br)C1CCNC1
InChIInChI=1S/C15H21BrN2O2/c1-3-8-18(11-6-7-17-10-11)15(19)13-9-12(20-2)4-5-14(13)16/h4-5,9,11,17H,3,6-8,10H2,1-2H3
InChIKeyFNUSYDGKSLXRPX-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119529988
2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide
CID 63638310
2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide
CID 63391871
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530172
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 81119139
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715879

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide (CID 63300965) is 2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide is CCCN(C(=O)c1cc(OC)ccc1Br)C1CCNC1.
What is the InChIKey of 2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is FNUSYDGKSLXRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-3-8-18(11-6-7-17-10-11)15(19)13-9-12(20-2)4-5-14(13)16/h4-5,9,11,17H,3,6-8,10H2,1-2H3.
What are the key properties of 2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide?
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 341.25 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 63300965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).