N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide

C25H17ClFNO3S — CID 19469408

IUPACN-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(COc2ccc(F)cc2)cs1
InChIInChI=1S/C25H17ClFNO3S/c26-18-6-11-22(21(13-18)24(29)17-4-2-1-3-5-17)28-25(30)23-12-16(15-32-23)14-31-20-9-7-19(27)8-10-20/h1-13,15H,14H2,(H,28,30)
InChIKeyFILBQMFZESJSCV-UHFFFAOYSA-N
MW465.93 g/mol
LogP6.60
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide

N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19469408) has the molecular formula C25H17ClFNO3S and a molecular weight of 465.93 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
PubChem CID19469408
Molecular FormulaC25H17ClFNO3S
Molecular Weight465.93 g/mol
Exact Mass465.06
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(COc2ccc(F)cc2)cs1
InChIInChI=1S/C25H17ClFNO3S/c26-18-6-11-22(21(13-18)24(29)17-4-2-1-3-5-17)28-25(30)23-12-16(15-32-23)14-31-20-9-7-19(27)8-10-20/h1-13,15H,14H2,(H,28,30)
InChIKeyFILBQMFZESJSCV-UHFFFAOYSA-N
XLogP6.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.93
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492917
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469372
N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471460
N-(2,3-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469374
N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469482
4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19503359
N-(4-chloro-2-nitrophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493194
N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19417251
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469568
N-(3-chlorophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493225

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide (CID 19469408) is N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide is O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(COc2ccc(F)cc2)cs1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is FILBQMFZESJSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClFNO3S/c26-18-6-11-22(21(13-18)24(29)17-4-2-1-3-5-17)28-25(30)23-12-16(15-32-23)14-31-20-9-7-19(27)8-10-20/h1-13,15H,14H2,(H,28,30).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 465.93 g/mol, XLogP of 6.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19469408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).