(2R)-N-(4-bromophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide

C17H20BrN2O+ — CID 8861833

IUPAC(2R)-N-(4-bromophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide
SMILESCCc1ccc(C)[n+]([C@H](C)C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H19BrN2O/c1-4-14-6-5-12(2)20(11-14)13(3)17(21)19-16-9-7-15(18)8-10-16/h5-11,13H,4H2,1-3H3/p+1/t13-/m1/s1
InChIKeyGXNBEUDCJHQUKA-CYBMUJFWSA-O
MW348.26 g/mol
LogP3.81
Rot. Bonds4

About (2R)-N-(4-bromophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide

(2R)-N-(4-bromophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide (PubChem CID 8861833) has the molecular formula C17H20BrN2O+ and a molecular weight of 348.26 g/mol. Its IUPAC name is (2R)-N-(4-bromophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide
PubChem CID8861833
Molecular FormulaC17H20BrN2O+
Molecular Weight348.26 g/mol
Exact Mass347.08
IUPAC Name(2R)-N-(4-bromophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide
SMILESCCc1ccc(C)[n+]([C@H](C)C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H19BrN2O/c1-4-14-6-5-12(2)20(11-14)13(3)17(21)19-16-9-7-15(18)8-10-16/h5-11,13H,4H2,1-3H3/p+1/t13-/m1/s1
InChIKeyGXNBEUDCJHQUKA-CYBMUJFWSA-O
XLogP3.81
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide
CID 8861875
(2S)-N-(3-cyanophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide
CID 8861907
N-(4-bromophenyl)-2-(4-ethylanilino)propanamide
CID 46799470
(2S)-N-(2,5-dichlorophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide
CID 8861932
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
(2S)-2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(4-ethylphenyl)propanamide
CID 8827760
2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996813
(2S)-2-bromo-N-(4-ethylphenyl)butanamide
CID 51659893
N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112998475
(2S)-N-(4-bromophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanamide
CID 8877925
(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide
CID 1234542
N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide
CID 43230530

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide?
The IUPAC name of (2R)-N-(4-bromophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide (CID 8861833) is (2R)-N-(4-bromophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-bromophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide?
The canonical SMILES for (2R)-N-(4-bromophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide is CCc1ccc(C)[n+]([C@H](C)C(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of (2R)-N-(4-bromophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide?
The InChIKey is GXNBEUDCJHQUKA-CYBMUJFWSA-O. The full InChI is InChI=1S/C17H19BrN2O/c1-4-14-6-5-12(2)20(11-14)13(3)17(21)19-16-9-7-15(18)8-10-16/h5-11,13H,4H2,1-3H3/p+1/t13-/m1/s1.
What are the key properties of (2R)-N-(4-bromophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide?
(2R)-N-(4-bromophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide has a molecular weight of 348.26 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide is sourced from PubChem (CID 8861833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).