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

C11H9ClF3NO — CID 71534605

IUPAC4-chloro-N-[(E)-4,4,4-trifluorobut-2-enyl]benzamide
SMILESO=C(NC/C=C/C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClF3NO/c12-9-4-2-8(3-5-9)10(17)16-7-1-6-11(13,14)15/h1-6H,7H2,(H,16,17)/b6-1+
InChIKeyHBGZLGWBTXJPFF-LZCJLJQNSA-N
MW263.65 g/mol
LogP3.19
Rot. Bonds3

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

4-chloro-N-[(E)-4,4,4-trifluorobut-2-enyl]benzamide (PubChem CID 71534605) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is 4-chloro-N-[(E)-4,4,4-trifluorobut-2-enyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-4,4,4-trifluorobut-2-enyl]benzamide
PubChem CID71534605
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC Name4-chloro-N-[(E)-4,4,4-trifluorobut-2-enyl]benzamide
SMILESO=C(NC/C=C/C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClF3NO/c12-9-4-2-8(3-5-9)10(17)16-7-1-6-11(13,14)15/h1-6H,7H2,(H,16,17)/b6-1+
InChIKeyHBGZLGWBTXJPFF-LZCJLJQNSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043482
N-(3-amino-2,2-difluoropropyl)-4-chlorobenzamide
CID 114383666
1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide
CID 54039627
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
aluminum tris(2-[(4-chlorobenzoyl)amino]acetate)
CID 70603247

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-4,4,4-trifluorobut-2-enyl]benzamide?
The IUPAC name of 4-chloro-N-[(E)-4,4,4-trifluorobut-2-enyl]benzamide (CID 71534605) is 4-chloro-N-[(E)-4,4,4-trifluorobut-2-enyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-4,4,4-trifluorobut-2-enyl]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-4,4,4-trifluorobut-2-enyl]benzamide is O=C(NC/C=C/C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-4,4,4-trifluorobut-2-enyl]benzamide?
The InChIKey is HBGZLGWBTXJPFF-LZCJLJQNSA-N. The full InChI is InChI=1S/C11H9ClF3NO/c12-9-4-2-8(3-5-9)10(17)16-7-1-6-11(13,14)15/h1-6H,7H2,(H,16,17)/b6-1+.
What are the key properties of 4-chloro-N-[(E)-4,4,4-trifluorobut-2-enyl]benzamide?
4-chloro-N-[(E)-4,4,4-trifluorobut-2-enyl]benzamide has a molecular weight of 263.65 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-4,4,4-trifluorobut-2-enyl]benzamide is sourced from PubChem (CID 71534605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).