2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide

C23H19ClF3N3O3 — CID 41259474

IUPAC2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccccc1
InChIInChI=1S/C23H19ClF3N3O3/c1-14(15-7-3-2-4-8-15)28-21(32)17-9-5-6-10-19(17)29-20(31)13-30-12-16(23(25,26)27)11-18(24)22(30)33/h2-12,14H,13H2,1H3,(H,28,32)(H,29,31)/t14-/m1/s1
InChIKeySSESJCUHOWORMD-CQSZACIVSA-N
MW477.87 g/mol
LogP4.65
Rot. Bonds6

About 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide

2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 41259474) has the molecular formula C23H19ClF3N3O3 and a molecular weight of 477.87 g/mol. Its IUPAC name is 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID41259474
Molecular FormulaC23H19ClF3N3O3
Molecular Weight477.87 g/mol
Exact Mass477.11
IUPAC Name2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccccc1
InChIInChI=1S/C23H19ClF3N3O3/c1-14(15-7-3-2-4-8-15)28-21(32)17-9-5-6-10-19(17)29-20(31)13-30-12-16(23(25,26)27)11-18(24)22(30)33/h2-12,14H,13H2,1H3,(H,28,32)(H,29,31)/t14-/m1/s1
InChIKeySSESJCUHOWORMD-CQSZACIVSA-N
XLogP4.65
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.87
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide with MolForge

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Related Compounds

2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 41259473
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-iodophenyl)acetamide
CID 16574639
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2096913
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-naphthalen-1-ylacetamide
CID 2097457
2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4786938
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437
2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 97352007
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide
CID 2100498
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(6-methyl-2-pyridinyl)acetamide
CID 47015092
N-(4-bromo-2-chlorophenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 24566337
N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2587466
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126128608

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide (CID 41259474) is 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccccc1.
What is the InChIKey of 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is SSESJCUHOWORMD-CQSZACIVSA-N. The full InChI is InChI=1S/C23H19ClF3N3O3/c1-14(15-7-3-2-4-8-15)28-21(32)17-9-5-6-10-19(17)29-20(31)13-30-12-16(23(25,26)27)11-18(24)22(30)33/h2-12,14H,13H2,1H3,(H,28,32)(H,29,31)/t14-/m1/s1.
What are the key properties of 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 477.87 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 41259474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).