2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide

C23H16F2N2OS — CID 108739729

IUPAC2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C23H16F2N2OS/c24-18-10-11-19(20(25)12-18)22(28)26-13-15-6-8-17(9-7-15)23-27-21(14-29-23)16-4-2-1-3-5-16/h1-12,14H,13H2,(H,26,28)
InChIKeyZOVJJYZXTJAECS-UHFFFAOYSA-N
MW406.46 g/mol
LogP5.69
Rot. Bonds5

About 2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide

2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide (PubChem CID 108739729) has the molecular formula C23H16F2N2OS and a molecular weight of 406.46 g/mol. Its IUPAC name is 2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
PubChem CID108739729
Molecular FormulaC23H16F2N2OS
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC Name2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C23H16F2N2OS/c24-18-10-11-19(20(25)12-18)22(28)26-13-15-6-8-17(9-7-15)23-27-21(14-29-23)16-4-2-1-3-5-16/h1-12,14H,13H2,(H,26,28)
InChIKeyZOVJJYZXTJAECS-UHFFFAOYSA-N
XLogP5.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108738396
methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate
CID 108739699
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 24597218
4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184
2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide
CID 108762330
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638
2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108762322
N'-(4-fluorophenyl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanediamide
CID 108762347
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 108761369
2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761194
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide (CID 108739729) is 2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide is O=C(NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The InChIKey is ZOVJJYZXTJAECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2OS/c24-18-10-11-19(20(25)12-18)22(28)26-13-15-6-8-17(9-7-15)23-27-21(14-29-23)16-4-2-1-3-5-16/h1-12,14H,13H2,(H,26,28).
What are the key properties of 2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide?
2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide has a molecular weight of 406.46 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 108739729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).