N-benzyl-2-bromo-N-ethylpropanamide

C12H16BrNO — CID 82108939

IUPACN-benzyl-2-bromo-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)C(C)Br
InChIInChI=1S/C12H16BrNO/c1-3-14(12(15)10(2)13)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyTVRYYOAYZKYXNU-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.82
Rot. Bonds4

About N-benzyl-2-bromo-N-ethylpropanamide

N-benzyl-2-bromo-N-ethylpropanamide (PubChem CID 82108939) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-ethylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-ethylpropanamide
PubChem CID82108939
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-benzyl-2-bromo-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)C(C)Br
InChIInChI=1S/C12H16BrNO/c1-3-14(12(15)10(2)13)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyTVRYYOAYZKYXNU-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.82
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

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CID 119674320
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
2-amino-N-benzyl-N-ethylbutanediamide
CID 54928160
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 110877676
2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide
CID 107471113
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N,N-dibenzyl-N',N'-bis(2-methylpropyl)oxamide
CID 108523671
1-benzyl-1,3-diethyl-3-methylurea
CID 116654057
N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
CID 108940808

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-ethylpropanamide?
The IUPAC name of N-benzyl-2-bromo-N-ethylpropanamide (CID 82108939) is N-benzyl-2-bromo-N-ethylpropanamide.
What is the SMILES notation for N-benzyl-2-bromo-N-ethylpropanamide?
The canonical SMILES for N-benzyl-2-bromo-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)C(C)Br.
What is the InChIKey of N-benzyl-2-bromo-N-ethylpropanamide?
The InChIKey is TVRYYOAYZKYXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-3-14(12(15)10(2)13)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of N-benzyl-2-bromo-N-ethylpropanamide?
N-benzyl-2-bromo-N-ethylpropanamide has a molecular weight of 270.17 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-ethylpropanamide is sourced from PubChem (CID 82108939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).