4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide

C16H23BrN2O — CID 115770297

IUPAC4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCc1cc(C(=O)NCC2CCN(C(C)C)C2)ccc1Br
InChIInChI=1S/C16H23BrN2O/c1-11(2)19-7-6-13(10-19)9-18-16(20)14-4-5-15(17)12(3)8-14/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,18,20)
InChIKeyUDHHHHGJISOZHU-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.22
Rot. Bonds4

About 4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide

4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 115770297) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
PubChem CID115770297
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCc1cc(C(=O)NCC2CCN(C(C)C)C2)ccc1Br
InChIInChI=1S/C16H23BrN2O/c1-11(2)19-7-6-13(10-19)9-18-16(20)14-4-5-15(17)12(3)8-14/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,18,20)
InChIKeyUDHHHHGJISOZHU-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114371851
2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide
CID 103764726
3-(2-aminoethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 62593153
4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63185116
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 60598298
4-bromo-3-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 103872705
4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide
CID 61208730
6-(dimethylamino)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95591154
4-bromo-3-chloro-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]benzamide
CID 124572243
2-amino-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 61207718
3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 60598287
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (CID 115770297) is 4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is Cc1cc(C(=O)NCC2CCN(C(C)C)C2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is UDHHHHGJISOZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11(2)19-7-6-13(10-19)9-18-16(20)14-4-5-15(17)12(3)8-14/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,18,20).
What are the key properties of 4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 339.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 115770297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).