3-fluoro-N-[2-methoxy-5-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide

C25H20FN3O3S — CID 46477760

IUPAC3-fluoro-N-[2-methoxy-5-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C25H20FN3O3S/c1-32-22-11-10-19(13-21(22)29-24(31)17-8-5-9-18(26)12-17)27-23(30)14-20-15-33-25(28-20)16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,27,30)(H,29,31)
InChIKeyOQNUJMJIVFDKGV-UHFFFAOYSA-N
MW461.52 g/mol
LogP5.39
Rot. Bonds7

About 3-fluoro-N-[2-methoxy-5-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide

3-fluoro-N-[2-methoxy-5-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide (PubChem CID 46477760) has the molecular formula C25H20FN3O3S and a molecular weight of 461.52 g/mol. Its IUPAC name is 3-fluoro-N-[2-methoxy-5-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-methoxy-5-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide
PubChem CID46477760
Molecular FormulaC25H20FN3O3S
Molecular Weight461.52 g/mol
Exact Mass461.12
IUPAC Name3-fluoro-N-[2-methoxy-5-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C25H20FN3O3S/c1-32-22-11-10-19(13-21(22)29-24(31)17-8-5-9-18(26)12-17)27-23(30)14-20-15-33-25(28-20)16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,27,30)(H,29,31)
InChIKeyOQNUJMJIVFDKGV-UHFFFAOYSA-N
XLogP5.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 892238
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 852133
3-[2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 22638602
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-N'-(2-methoxyphenyl)ethanediamide
CID 7216680
2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 850702
N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 891670
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-fluorobenzamide
CID 2222013
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161328
N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 6490668
N-(2-methoxy-5-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 15945113
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 44532763
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 44532764

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-methoxy-5-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-methoxy-5-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide (CID 46477760) is 3-fluoro-N-[2-methoxy-5-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-methoxy-5-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-methoxy-5-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide is COc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-methoxy-5-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide?
The InChIKey is OQNUJMJIVFDKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3S/c1-32-22-11-10-19(13-21(22)29-24(31)17-8-5-9-18(26)12-17)27-23(30)14-20-15-33-25(28-20)16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,27,30)(H,29,31).
What are the key properties of 3-fluoro-N-[2-methoxy-5-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide?
3-fluoro-N-[2-methoxy-5-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide has a molecular weight of 461.52 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-methoxy-5-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 46477760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).