N-[4-(4-chlorobut-2-enoxy)phenyl]acetamide

C12H14ClNO2 — CID 77051372

IUPACN-[4-(4-chlorobut-2-enoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC=CCCl)cc1
InChIInChI=1S/C12H14ClNO2/c1-10(15)14-11-4-6-12(7-5-11)16-9-3-2-8-13/h2-7H,8-9H2,1H3,(H,14,15)
InChIKeyMGOKPDWUTURZLH-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.82
Rot. Bonds5

About N-[4-(4-chlorobut-2-enoxy)phenyl]acetamide

N-[4-(4-chlorobut-2-enoxy)phenyl]acetamide (PubChem CID 77051372) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is N-[4-(4-chlorobut-2-enoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorobut-2-enoxy)phenyl]acetamide
PubChem CID77051372
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC NameN-[4-(4-chlorobut-2-enoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC=CCCl)cc1
InChIInChI=1S/C12H14ClNO2/c1-10(15)14-11-4-6-12(7-5-11)16-9-3-2-8-13/h2-7H,8-9H2,1H3,(H,14,15)
InChIKeyMGOKPDWUTURZLH-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
[(E)-4-(4-acetamidophenoxy)-2-methylbut-2-enyl] acetate
CID 70553752
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-(4-but-3-enoxyphenyl)acetamide
CID 11195080
1-(4-chlorobut-2-enoxy)-4-methylsulfonylbenzene
CID 77051830
N-[4-[3-(4-acetamidophenoxy)-2-[(4-acetamidophenoxy)methyl]-2-hydroxypropoxy]phenyl]acetamide;hydrate
CID 139075586
N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide
CID 60879910
(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 7731956
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
N-[(E)-4-chlorobut-2-enyl]-4-ethoxyaniline
CID 81429517
N-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetamide
CID 7640056
bis(4-acetamidophenyl) propanedioate
CID 58435595

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorobut-2-enoxy)phenyl]acetamide?
The IUPAC name of N-[4-(4-chlorobut-2-enoxy)phenyl]acetamide (CID 77051372) is N-[4-(4-chlorobut-2-enoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-chlorobut-2-enoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(4-chlorobut-2-enoxy)phenyl]acetamide is CC(=O)Nc1ccc(OCC=CCCl)cc1.
What is the InChIKey of N-[4-(4-chlorobut-2-enoxy)phenyl]acetamide?
The InChIKey is MGOKPDWUTURZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-10(15)14-11-4-6-12(7-5-11)16-9-3-2-8-13/h2-7H,8-9H2,1H3,(H,14,15).
What are the key properties of N-[4-(4-chlorobut-2-enoxy)phenyl]acetamide?
N-[4-(4-chlorobut-2-enoxy)phenyl]acetamide has a molecular weight of 239.70 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorobut-2-enoxy)phenyl]acetamide is sourced from PubChem (CID 77051372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).