2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C25H17ClF3N3O3 — CID 20929836

IUPAC2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C25H17ClF3N3O3/c1-14-8-9-19-23(35)20(22(34)15-4-2-6-17(26)10-15)12-32(24(19)30-14)13-21(33)31-18-7-3-5-16(11-18)25(27,28)29/h2-12H,13H2,1H3,(H,31,33)
InChIKeyHVXPBMXQBQRZIF-UHFFFAOYSA-N
MW499.88 g/mol
LogP5.25
Rot. Bonds5

About 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 20929836) has the molecular formula C25H17ClF3N3O3 and a molecular weight of 499.88 g/mol. Its IUPAC name is 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID20929836
Molecular FormulaC25H17ClF3N3O3
Molecular Weight499.88 g/mol
Exact Mass499.09
IUPAC Name2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C25H17ClF3N3O3/c1-14-8-9-19-23(35)20(22(34)15-4-2-6-17(26)10-15)12-32(24(19)30-14)13-21(33)31-18-7-3-5-16(11-18)25(27,28)29/h2-12H,13H2,1H3,(H,31,33)
InChIKeyHVXPBMXQBQRZIF-UHFFFAOYSA-N
XLogP5.25
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.88
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929576
N-butan-2-yl-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 22424419
N-(3-chloro-4-fluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929842
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20929617
2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide
CID 20929649
3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one
CID 50759395
N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929766
N-(3,4-difluorophenyl)-2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929669
N-(3,4-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929548
N-(4-ethoxyphenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929751
2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20929556
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 20929630

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 20929836) is 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2n1.
What is the InChIKey of 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HVXPBMXQBQRZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF3N3O3/c1-14-8-9-19-23(35)20(22(34)15-4-2-6-17(26)10-15)12-32(24(19)30-14)13-21(33)31-18-7-3-5-16(11-18)25(27,28)29/h2-12H,13H2,1H3,(H,31,33).
What are the key properties of 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 499.88 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 20929836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).