N-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide

C17H25BrN2O — CID 63716493

IUPACN-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(C(=O)C1CNCC1C)C(C)c1ccccc1Br
InChIInChI=1S/C17H25BrN2O/c1-4-9-20(17(21)15-11-19-10-12(15)2)13(3)14-7-5-6-8-16(14)18/h5-8,12-13,15,19H,4,9-11H2,1-3H3
InChIKeyFIVFVYUITLXDFU-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.60
Rot. Bonds5

About N-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide

N-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide (PubChem CID 63716493) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide
PubChem CID63716493
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC NameN-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(C(=O)C1CNCC1C)C(C)c1ccccc1Br
InChIInChI=1S/C17H25BrN2O/c1-4-9-20(17(21)15-11-19-10-12(15)2)13(3)14-7-5-6-8-16(14)18/h5-8,12-13,15,19H,4,9-11H2,1-3H3
InChIKeyFIVFVYUITLXDFU-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide
CID 55035536
N-[1-(2-bromophenyl)ethyl]-N-propylacetamide
CID 60778873
2-(azetidin-3-ylidene)-N-[1-(2-bromophenyl)ethyl]-N-propylpropanamide
CID 116676511
N-benzyl-N-butan-2-yl-4-methylpyrrolidine-3-carboxamide
CID 63714137
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide
CID 114328209
N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 63716151
N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide
CID 60946925
N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 60958671
4-methyl-N,N-dipropylpyrrolidine-3-carboxamide
CID 63720792
N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide
CID 62845983
N-[1-(2-bromophenyl)ethyl]-3-methylsulfonyl-N-propylpropanamide
CID 87025496
N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide
CID 52633198

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide (CID 63716493) is N-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide is CCCN(C(=O)C1CNCC1C)C(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide?
The InChIKey is FIVFVYUITLXDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-4-9-20(17(21)15-11-19-10-12(15)2)13(3)14-7-5-6-8-16(14)18/h5-8,12-13,15,19H,4,9-11H2,1-3H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide?
N-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63716493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).