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

C18H12ClF3N2O2 — CID 100738649

IUPAC2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12ClF3N2O2/c19-12-3-6-14-15(9-12)24(8-7-16(14)25)10-17(26)23-13-4-1-11(2-5-13)18(20,21)22/h1-9H,10H2,(H,23,26)
InChIKeyADICIFHZTLRFSP-UHFFFAOYSA-N
MW380.75 g/mol
LogP4.31
Rot. Bonds3

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

2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 100738649) has the molecular formula C18H12ClF3N2O2 and a molecular weight of 380.75 g/mol. Its IUPAC name is 2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID100738649
Molecular FormulaC18H12ClF3N2O2
Molecular Weight380.75 g/mol
Exact Mass380.05
IUPAC Name2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12ClF3N2O2/c19-12-3-6-14-15(9-12)24(8-7-16(14)25)10-17(26)23-13-4-1-11(2-5-13)18(20,21)22/h1-9H,10H2,(H,23,26)
InChIKeyADICIFHZTLRFSP-UHFFFAOYSA-N
XLogP4.31
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.75
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide
CID 100738455
N-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide
CID 100739255
2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 100740218
N-(4-bromophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 43833238
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113201563
2-(7-chloro-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100739307
N-(4-chlorophenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741578
2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572
2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 100739457
2-(7-chloro-4-oxoquinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 100738706
N-(3-acetamidophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100735847
N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7183544

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 100738649) is 2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ADICIFHZTLRFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O2/c19-12-3-6-14-15(9-12)24(8-7-16(14)25)10-17(26)23-13-4-1-11(2-5-13)18(20,21)22/h1-9H,10H2,(H,23,26).
What are the key properties of 2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 380.75 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 100738649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).