2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide

C15H21Br2NO — CID 114328209

IUPAC2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)(C)Br)C(C)c1ccccc1Br
InChIInChI=1S/C15H21Br2NO/c1-5-10-18(14(19)15(3,4)17)11(2)12-8-6-7-9-13(12)16/h6-9,11H,5,10H2,1-4H3
InChIKeyRWWUTOKFNMFQLB-UHFFFAOYSA-N
MW391.15 g/mol
LogP4.92
Rot. Bonds5

About 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide

2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide (PubChem CID 114328209) has the molecular formula C15H21Br2NO and a molecular weight of 391.15 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide
PubChem CID114328209
Molecular FormulaC15H21Br2NO
Molecular Weight391.15 g/mol
Exact Mass389.00
IUPAC Name2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)(C)Br)C(C)c1ccccc1Br
InChIInChI=1S/C15H21Br2NO/c1-5-10-18(14(19)15(3,4)17)11(2)12-8-6-7-9-13(12)16/h6-9,11H,5,10H2,1-4H3
InChIKeyRWWUTOKFNMFQLB-UHFFFAOYSA-N
XLogP4.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.15
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide
CID 62845983
N-[1-(2-bromophenyl)ethyl]-N-propylacetamide
CID 60778873
2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide
CID 55035536
N-[1-(2-bromophenyl)ethyl]-3-methylsulfonyl-N-propylpropanamide
CID 87025496
2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide
CID 60505772
2-(azetidin-3-ylidene)-N-[1-(2-bromophenyl)ethyl]-N-propylpropanamide
CID 116676511
N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide
CID 52633198
N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 60958671
N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide
CID 60946925
N-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide
CID 63716493
1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea
CID 51954766
4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide
CID 55750869

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide?
The IUPAC name of 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide (CID 114328209) is 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide.
What is the SMILES notation for 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide?
The canonical SMILES for 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide is CCCN(C(=O)C(C)(C)Br)C(C)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide?
The InChIKey is RWWUTOKFNMFQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO/c1-5-10-18(14(19)15(3,4)17)11(2)12-8-6-7-9-13(12)16/h6-9,11H,5,10H2,1-4H3.
What are the key properties of 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide?
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide has a molecular weight of 391.15 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide is sourced from PubChem (CID 114328209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).