2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C18H11BrClF3N2O2 — CID 100740218

IUPAC2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H11BrClF3N2O2/c19-10-1-3-12-15(7-10)25(6-5-16(12)26)9-17(27)24-11-2-4-14(20)13(8-11)18(21,22)23/h1-8H,9H2,(H,24,27)
InChIKeyXADTZJFIOSEWMJ-UHFFFAOYSA-N
MW459.65 g/mol
LogP5.07
Rot. Bonds3

About 2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 100740218) has the molecular formula C18H11BrClF3N2O2 and a molecular weight of 459.65 g/mol. Its IUPAC name is 2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID100740218
Molecular FormulaC18H11BrClF3N2O2
Molecular Weight459.65 g/mol
Exact Mass457.96
IUPAC Name2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H11BrClF3N2O2/c19-10-1-3-12-15(7-10)25(6-5-16(12)26)9-17(27)24-11-2-4-14(20)13(8-11)18(21,22)23/h1-8H,9H2,(H,24,27)
InChIKeyXADTZJFIOSEWMJ-UHFFFAOYSA-N
XLogP5.07
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.65
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide 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

2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 100739906
methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 100740419
2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100738649
2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 100740298
2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide
CID 100738455
2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100739512
N-(4-bromophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 43833238
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100740902
2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 100739658
2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 100736984
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-(4-bromo-3-chlorophenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4063742

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 100740218) is 2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XADTZJFIOSEWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClF3N2O2/c19-10-1-3-12-15(7-10)25(6-5-16(12)26)9-17(27)24-11-2-4-14(20)13(8-11)18(21,22)23/h1-8H,9H2,(H,24,27).
What are the key properties of 2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 459.65 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 100740218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).