N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide

C13H16BrNO — CID 115609084

IUPACN-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide
SMILESC=C(Br)CNC(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C13H16BrNO/c1-9-4-5-10(2)12(6-9)7-13(16)15-8-11(3)14/h4-6H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyURVIIKQZCSJOMN-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.87
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide

N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide (PubChem CID 115609084) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide
PubChem CID115609084
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC NameN-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide
SMILESC=C(Br)CNC(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C13H16BrNO/c1-9-4-5-10(2)12(6-9)7-13(16)15-8-11(3)14/h4-6H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyURVIIKQZCSJOMN-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 47439324
2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699527
N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid
CID 79468988
N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 63756094
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 62539487
N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide
CID 114308151
3-bromo-N-[(2,5-dimethylphenyl)methyl]propanamide
CID 82109130
N-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide
CID 113462787
N-[(E)-4-chlorobut-2-enyl]-2-(2,5-dimethylphenyl)acetamide
CID 81430040
(2S)-4-[[2-(2,5-dimethylphenyl)acetyl]amino]-2-hydroxybutanoic acid
CID 114006651

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide (CID 115609084) is N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide is C=C(Br)CNC(=O)Cc1cc(C)ccc1C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is URVIIKQZCSJOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-9-4-5-10(2)12(6-9)7-13(16)15-8-11(3)14/h4-6H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide?
N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 282.18 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 115609084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).