N-[4,4-bis(4-fluorophenyl)but-3-enyl]-2-chlorobenzamide

C23H18ClF2NO — CID 71429459

IUPACN-[4,4-bis(4-fluorophenyl)but-3-enyl]-2-chlorobenzamide
SMILESO=C(NCCC=C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C23H18ClF2NO/c24-22-6-2-1-4-21(22)23(28)27-15-3-5-20(16-7-11-18(25)12-8-16)17-9-13-19(26)14-10-17/h1-2,4-14H,3,15H2,(H,27,28)
InChIKeyTWALXEWUYDUJGR-UHFFFAOYSA-N
MW397.85 g/mol
LogP5.87
Rot. Bonds6

About N-[4,4-bis(4-fluorophenyl)but-3-enyl]-2-chlorobenzamide

N-[4,4-bis(4-fluorophenyl)but-3-enyl]-2-chlorobenzamide (PubChem CID 71429459) has the molecular formula C23H18ClF2NO and a molecular weight of 397.85 g/mol. Its IUPAC name is N-[4,4-bis(4-fluorophenyl)but-3-enyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[4,4-bis(4-fluorophenyl)but-3-enyl]-2-chlorobenzamide
PubChem CID71429459
Molecular FormulaC23H18ClF2NO
Molecular Weight397.85 g/mol
Exact Mass397.10
IUPAC NameN-[4,4-bis(4-fluorophenyl)but-3-enyl]-2-chlorobenzamide
SMILESO=C(NCCC=C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C23H18ClF2NO/c24-22-6-2-1-4-21(22)23(28)27-15-3-5-20(16-7-11-18(25)12-8-16)17-9-13-19(26)14-10-17/h1-2,4-14H,3,15H2,(H,27,28)
InChIKeyTWALXEWUYDUJGR-UHFFFAOYSA-N
XLogP5.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.85
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 7700839
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
CID 113059321
2-chloro-N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193200
N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
CID 35929500
N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
CID 99711043
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione
CID 10615548
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066969
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233735
2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467

Frequently Asked Questions

What is the IUPAC name of N-[4,4-bis(4-fluorophenyl)but-3-enyl]-2-chlorobenzamide?
The IUPAC name of N-[4,4-bis(4-fluorophenyl)but-3-enyl]-2-chlorobenzamide (CID 71429459) is N-[4,4-bis(4-fluorophenyl)but-3-enyl]-2-chlorobenzamide.
What is the SMILES notation for N-[4,4-bis(4-fluorophenyl)but-3-enyl]-2-chlorobenzamide?
The canonical SMILES for N-[4,4-bis(4-fluorophenyl)but-3-enyl]-2-chlorobenzamide is O=C(NCCC=C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of N-[4,4-bis(4-fluorophenyl)but-3-enyl]-2-chlorobenzamide?
The InChIKey is TWALXEWUYDUJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2NO/c24-22-6-2-1-4-21(22)23(28)27-15-3-5-20(16-7-11-18(25)12-8-16)17-9-13-19(26)14-10-17/h1-2,4-14H,3,15H2,(H,27,28).
What are the key properties of N-[4,4-bis(4-fluorophenyl)but-3-enyl]-2-chlorobenzamide?
N-[4,4-bis(4-fluorophenyl)but-3-enyl]-2-chlorobenzamide has a molecular weight of 397.85 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4-bis(4-fluorophenyl)but-3-enyl]-2-chlorobenzamide is sourced from PubChem (CID 71429459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).