3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide

C14H19BrN2O — CID 113460894

IUPAC3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1cc(Br)cc(C(=O)NCCC2CCNC2)c1
InChIInChI=1S/C14H19BrN2O/c1-10-6-12(8-13(15)7-10)14(18)17-5-3-11-2-4-16-9-11/h6-8,11,16H,2-5,9H2,1H3,(H,17,18)
InChIKeyPKOSAPKYURBDLO-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.49
Rot. Bonds4

About 3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide

3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 113460894) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID113460894
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1cc(Br)cc(C(=O)NCCC2CCNC2)c1
InChIInChI=1S/C14H19BrN2O/c1-10-6-12(8-13(15)7-10)14(18)17-5-3-11-2-4-16-9-11/h6-8,11,16H,2-5,9H2,1H3,(H,17,18)
InChIKeyPKOSAPKYURBDLO-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534037
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
4-bromo-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide
CID 55249969
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 119537569
7-bromo-N-(2-pyrrolidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119537484
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630406

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 113460894) is 3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide is Cc1cc(Br)cc(C(=O)NCCC2CCNC2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is PKOSAPKYURBDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-6-12(8-13(15)7-10)14(18)17-5-3-11-2-4-16-9-11/h6-8,11,16H,2-5,9H2,1H3,(H,17,18).
What are the key properties of 3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 113460894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).