3-bromo-N-(1-tert-butylpyrrolidin-3-yl)benzamide

C15H21BrN2O — CID 91970639

IUPAC3-bromo-N-(1-tert-butylpyrrolidin-3-yl)benzamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C15H21BrN2O/c1-15(2,3)18-8-7-13(10-18)17-14(19)11-5-4-6-12(16)9-11/h4-6,9,13H,7-8,10H2,1-3H3,(H,17,19)
InChIKeyPCBLAONADKCHEN-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.05
Rot. Bonds2

About 3-bromo-N-(1-tert-butylpyrrolidin-3-yl)benzamide

3-bromo-N-(1-tert-butylpyrrolidin-3-yl)benzamide (PubChem CID 91970639) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-bromo-N-(1-tert-butylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(1-tert-butylpyrrolidin-3-yl)benzamide
PubChem CID91970639
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-bromo-N-(1-tert-butylpyrrolidin-3-yl)benzamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C15H21BrN2O/c1-15(2,3)18-8-7-13(10-18)17-14(19)11-5-4-6-12(16)9-11/h4-6,9,13H,7-8,10H2,1-3H3,(H,17,19)
InChIKeyPCBLAONADKCHEN-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-tert-butylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3-bromo-N-(1-tert-butylpyrrolidin-3-yl)benzamide (CID 91970639) is 3-bromo-N-(1-tert-butylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(1-tert-butylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-bromo-N-(1-tert-butylpyrrolidin-3-yl)benzamide is CC(C)(C)N1CCC(NC(=O)c2cccc(Br)c2)C1.
What is the InChIKey of 3-bromo-N-(1-tert-butylpyrrolidin-3-yl)benzamide?
The InChIKey is PCBLAONADKCHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-15(2,3)18-8-7-13(10-18)17-14(19)11-5-4-6-12(16)9-11/h4-6,9,13H,7-8,10H2,1-3H3,(H,17,19).
What are the key properties of 3-bromo-N-(1-tert-butylpyrrolidin-3-yl)benzamide?
3-bromo-N-(1-tert-butylpyrrolidin-3-yl)benzamide has a molecular weight of 325.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-tert-butylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 91970639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).