N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide

C12H15BrN2O — CID 78908308

IUPACN-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C12H15BrN2O/c1-3-6-14-8-12(16)15-11-5-4-10(13)7-9(11)2/h3-5,7,14H,1,6,8H2,2H3,(H,15,16)
InChIKeyYAIQRSPASAFXHS-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.47
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide

N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide (PubChem CID 78908308) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide
PubChem CID78908308
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C12H15BrN2O/c1-3-6-14-8-12(16)15-11-5-4-10(13)7-9(11)2/h3-5,7,14H,1,6,8H2,2H3,(H,15,16)
InChIKeyYAIQRSPASAFXHS-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285163
N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285856
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912242
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,2-dimethylbut-3-enamide
CID 122151383
3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 113115678
N-(4-bromo-2-methylphenyl)prop-2-enamide
CID 43134251
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
N-(4-bromo-2-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148206
N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide
CID 110688631
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide
CID 43087897
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
CID 24701652

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide (CID 78908308) is N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is YAIQRSPASAFXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-3-6-14-8-12(16)15-11-5-4-10(13)7-9(11)2/h3-5,7,14H,1,6,8H2,2H3,(H,15,16).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide?
N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 283.17 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78908308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).