3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide

C15H21BrN2O — CID 79035923

IUPAC3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1c(Br)cccc1C(=O)NCC(C)N1CCCC1
InChIInChI=1S/C15H21BrN2O/c1-11(18-8-3-4-9-18)10-17-15(19)13-6-5-7-14(16)12(13)2/h5-7,11H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKeySOFJARGJWJCIKM-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.97
Rot. Bonds4

About 3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide

3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 79035923) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide
PubChem CID79035923
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1c(Br)cccc1C(=O)NCC(C)N1CCCC1
InChIInChI=1S/C15H21BrN2O/c1-11(18-8-3-4-9-18)10-17-15(19)13-6-5-7-14(16)12(13)2/h5-7,11H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKeySOFJARGJWJCIKM-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

2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 114344224
2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 80718351
3-bromo-N-(2-bromopropyl)-2-methylbenzamide
CID 114308590
2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 78918066
3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81485364
3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 51710424
2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036181
2-amino-3-nitro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 115678974
2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 94671216
N-(2-pyrrolidin-1-ylpropyl)-1H-indole-7-carboxamide
CID 79035908
2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide
CID 75431995
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide (CID 79035923) is 3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide is Cc1c(Br)cccc1C(=O)NCC(C)N1CCCC1.
What is the InChIKey of 3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is SOFJARGJWJCIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11(18-8-3-4-9-18)10-17-15(19)13-6-5-7-14(16)12(13)2/h5-7,11H,3-4,8-10H2,1-2H3,(H,17,19).
What are the key properties of 3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide?
3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide 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 3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 79035923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).