N-(2-bromophenyl)-N-but-3-enylacetamide

C12H14BrNO — CID 15062818

IUPACN-(2-bromophenyl)-N-but-3-enylacetamide
SMILESC=CCCN(C(C)=O)c1ccccc1Br
InChIInChI=1S/C12H14BrNO/c1-3-4-9-14(10(2)15)12-8-6-5-7-11(12)13/h3,5-8H,1,4,9H2,2H3
InChIKeySBWVDNVLEGHPDT-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.38
Rot. Bonds4

About N-(2-bromophenyl)-N-but-3-enylacetamide

N-(2-bromophenyl)-N-but-3-enylacetamide (PubChem CID 15062818) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is N-(2-bromophenyl)-N-but-3-enylacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N-but-3-enylacetamide
PubChem CID15062818
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-(2-bromophenyl)-N-but-3-enylacetamide
SMILESC=CCCN(C(C)=O)c1ccccc1Br
InChIInChI=1S/C12H14BrNO/c1-3-4-9-14(10(2)15)12-8-6-5-7-11(12)13/h3,5-8H,1,4,9H2,2H3
InChIKeySBWVDNVLEGHPDT-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.38
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

N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide
CID 113062718
N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
CID 113062766
N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide
CID 113062722
N-(2-bromophenyl)-N-ethyl-2-methylprop-2-enamide
CID 168864432
N-(3-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide
CID 70935012
2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide
CID 113177811
3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide
CID 113127011
N-[2-(N-acetyl-2-bromoanilino)ethyl]-3-methoxybenzamide
CID 113062736
3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide
CID 113132588
N-(2-aminophenyl)-N-prop-2-enylacetamide
CID 10702854
N-(2-bromophenyl)-N-[2-(4-tert-butylphenyl)ethyl]prop-2-enamide
CID 168864442
2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide
CID 113177819

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N-but-3-enylacetamide?
The IUPAC name of N-(2-bromophenyl)-N-but-3-enylacetamide (CID 15062818) is N-(2-bromophenyl)-N-but-3-enylacetamide.
What is the SMILES notation for N-(2-bromophenyl)-N-but-3-enylacetamide?
The canonical SMILES for N-(2-bromophenyl)-N-but-3-enylacetamide is C=CCCN(C(C)=O)c1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-N-but-3-enylacetamide?
The InChIKey is SBWVDNVLEGHPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-3-4-9-14(10(2)15)12-8-6-5-7-11(12)13/h3,5-8H,1,4,9H2,2H3.
What are the key properties of N-(2-bromophenyl)-N-but-3-enylacetamide?
N-(2-bromophenyl)-N-but-3-enylacetamide has a molecular weight of 268.15 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N-but-3-enylacetamide is sourced from PubChem (CID 15062818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).