2-chloro-N-[(E)-4-chlorobut-2-enyl]benzamide

C11H11Cl2NO — CID 81429750

IUPAC2-chloro-N-[(E)-4-chlorobut-2-enyl]benzamide
SMILESO=C(NC/C=C/CCl)c1ccccc1Cl
InChIInChI=1S/C11H11Cl2NO/c12-7-3-4-8-14-11(15)9-5-1-2-6-10(9)13/h1-6H,7-8H2,(H,14,15)/b4-3+
InChIKeyOPCOSNMOUZOOKY-ONEGZZNKSA-N
MW244.12 g/mol
LogP2.86
Rot. Bonds4

About 2-chloro-N-[(E)-4-chlorobut-2-enyl]benzamide

2-chloro-N-[(E)-4-chlorobut-2-enyl]benzamide (PubChem CID 81429750) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is 2-chloro-N-[(E)-4-chlorobut-2-enyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-4-chlorobut-2-enyl]benzamide
PubChem CID81429750
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name2-chloro-N-[(E)-4-chlorobut-2-enyl]benzamide
SMILESO=C(NC/C=C/CCl)c1ccccc1Cl
InChIInChI=1S/C11H11Cl2NO/c12-7-3-4-8-14-11(15)9-5-1-2-6-10(9)13/h1-6H,7-8H2,(H,14,15)/b4-3+
InChIKeyOPCOSNMOUZOOKY-ONEGZZNKSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

3-chloro-N-[(E)-4-chlorobut-2-enyl]-2-fluorobenzamide
CID 81429885
N-[(E)-4-chlorobut-2-enyl]-2-ethoxybenzamide
CID 81430637
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
N-[(E)-4-chlorobut-2-enyl]-1-benzothiophene-3-carboxamide
CID 81430199
2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467
N-[(E)-4-chlorobut-2-enyl]-3-fluoropyridine-4-carboxamide
CID 81429360
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
2-chloro-N-formylbenzamide
CID 87771443
N-[(E)-4-chlorobut-2-enyl]-4-cyanobenzamide
CID 81430490
N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
CID 62502652

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-4-chlorobut-2-enyl]benzamide?
The IUPAC name of 2-chloro-N-[(E)-4-chlorobut-2-enyl]benzamide (CID 81429750) is 2-chloro-N-[(E)-4-chlorobut-2-enyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(E)-4-chlorobut-2-enyl]benzamide?
The canonical SMILES for 2-chloro-N-[(E)-4-chlorobut-2-enyl]benzamide is O=C(NC/C=C/CCl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(E)-4-chlorobut-2-enyl]benzamide?
The InChIKey is OPCOSNMOUZOOKY-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c12-7-3-4-8-14-11(15)9-5-1-2-6-10(9)13/h1-6H,7-8H2,(H,14,15)/b4-3+.
What are the key properties of 2-chloro-N-[(E)-4-chlorobut-2-enyl]benzamide?
2-chloro-N-[(E)-4-chlorobut-2-enyl]benzamide has a molecular weight of 244.12 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-4-chlorobut-2-enyl]benzamide is sourced from PubChem (CID 81429750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).