2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide

C15H20Br2N2O — CID 114371851

IUPAC2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCC(CNC(=O)c2cc(Br)ccc2Br)C1
InChIInChI=1S/C15H20Br2N2O/c1-10(2)19-6-5-11(9-19)8-18-15(20)13-7-12(16)3-4-14(13)17/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeySBTVHDSKCJWHMA-UHFFFAOYSA-N
MW404.15 g/mol
LogP3.67
Rot. Bonds4

About 2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide

2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 114371851) has the molecular formula C15H20Br2N2O and a molecular weight of 404.15 g/mol. Its IUPAC name is 2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
PubChem CID114371851
Molecular FormulaC15H20Br2N2O
Molecular Weight404.15 g/mol
Exact Mass401.99
IUPAC Name2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCC(CNC(=O)c2cc(Br)ccc2Br)C1
InChIInChI=1S/C15H20Br2N2O/c1-10(2)19-6-5-11(9-19)8-18-15(20)13-7-12(16)3-4-14(13)17/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeySBTVHDSKCJWHMA-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.15
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 115770297
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide
CID 61208730
2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63109999
2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 56716281
2-amino-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 61207718
2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 94813358
2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide
CID 103764726
2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodobenzamide
CID 103994708

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (CID 114371851) is 2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is CC(C)N1CCC(CNC(=O)c2cc(Br)ccc2Br)C1.
What is the InChIKey of 2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is SBTVHDSKCJWHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O/c1-10(2)19-6-5-11(9-19)8-18-15(20)13-7-12(16)3-4-14(13)17/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,18,20).
What are the key properties of 2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 404.15 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 114371851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).