2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide

C13H16BrNO — CID 102276029

IUPAC2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide
SMILESC=CCN(CC)C(=O)Cc1ccccc1Br
InChIInChI=1S/C13H16BrNO/c1-3-9-15(4-2)13(16)10-11-7-5-6-8-12(11)14/h3,5-8H,1,4,9-10H2,2H3
InChIKeyMHYOZZVJTNGPAH-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.03
Rot. Bonds5

About 2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide

2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide (PubChem CID 102276029) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide
PubChem CID102276029
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide
SMILESC=CCN(CC)C(=O)Cc1ccccc1Br
InChIInChI=1S/C13H16BrNO/c1-3-9-15(4-2)13(16)10-11-7-5-6-8-12(11)14/h3,5-8H,1,4,9-10H2,2H3
InChIKeyMHYOZZVJTNGPAH-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 71864379
2-(2-ethenylphenyl)-N,N-diethylacetamide
CID 122394792
2-(2-bromophenyl)-N-[2-(diethylamino)-2-oxoethyl]acetamide
CID 112994741
(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide
CID 81426075
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide
CID 84558909
2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid
CID 79262056
(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide
CID 104898275
2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
CID 112995770
N-ethyl-N-prop-2-enyl-2-sulfanylbenzamide
CID 107033485
2-(2-bromophenyl)acetyl bromide
CID 87290551
1-(2-bromophenyl)pentane-2,3-dione
CID 173141263
N-(5-amino-2-pyridinyl)-2-(2-bromophenyl)-N-ethylacetamide
CID 115268156

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide (CID 102276029) is 2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide is C=CCN(CC)C(=O)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide?
The InChIKey is MHYOZZVJTNGPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-3-9-15(4-2)13(16)10-11-7-5-6-8-12(11)14/h3,5-8H,1,4,9-10H2,2H3.
What are the key properties of 2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide?
2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide has a molecular weight of 282.18 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide is sourced from PubChem (CID 102276029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).