N-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide

C13H18BrNO2 — CID 71919199

IUPACN-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC(C)Cc1ccccc1Br
InChIInChI=1S/C13H18BrNO2/c1-3-17-9-13(16)15-10(2)8-11-6-4-5-7-12(11)14/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyKUOBCWMMYIOLIA-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.53
Rot. Bonds6

About N-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide

N-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide (PubChem CID 71919199) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide
PubChem CID71919199
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC(C)Cc1ccccc1Br
InChIInChI=1S/C13H18BrNO2/c1-3-17-9-13(16)15-10(2)8-11-6-4-5-7-12(11)14/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyKUOBCWMMYIOLIA-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R,5Z,8Z,11Z,14Z)-19-(2-bromophenyl)-N-(1-hydroxypropan-2-yl)nonadeca-5,8,11,14-tetraenamide
CID 44563711
N-[(3-bromophenyl)methyl]-2-methoxyacetamide
CID 56829070
n-(1-(3-Bromophenyl)ethyl)-2-methoxyacetamide
CID 45874390
N-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide
CID 47036510
N-[1-(3-bromophenyl)propan-2-yl]-2-methoxyacetamide
CID 48149938
methyl N-[3-[1-(2-bromophenyl)propan-2-ylamino]-3-oxopropyl]carbamate
CID 71970275
N'-[1-(2-bromophenyl)propan-2-yl]-N-ethylbutanediamide
CID 84588476
N-(2-bromophenethyl)acetamide
CID 10868448
(2-Bromobenzyl)(2-methoxy-1-methylethyl)amine
CID 2850590
(r)-n-Methoxyacetyl-1-methyl-3-phenyl-propylamine
CID 23627162
2-methoxy-N-[(1R)-1-phenylpropyl]acetamide
CID 53754952
N-[3-(2-bromophenyl)propyl]acetamide
CID 58488450

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide?
The IUPAC name of N-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide (CID 71919199) is N-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide.
What is the SMILES notation for N-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide?
The canonical SMILES for N-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide is CCOCC(=O)NC(C)Cc1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide?
The InChIKey is KUOBCWMMYIOLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-3-17-9-13(16)15-10(2)8-11-6-4-5-7-12(11)14/h4-7,10H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide?
N-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide has a molecular weight of 300.20 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide is sourced from PubChem (CID 71919199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).