N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide

C17H12ClFN2O2 — CID 47780650

IUPACN-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccccc21)Nc1cccc(Cl)c1F
InChIInChI=1S/C17H12ClFN2O2/c18-12-5-3-6-13(17(12)19)20-16(23)10-21-9-8-15(22)11-4-1-2-7-14(11)21/h1-9H,10H2,(H,20,23)
InChIKeyMGJCGEHWPIKDQD-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.43
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide

N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide (PubChem CID 47780650) has the molecular formula C17H12ClFN2O2 and a molecular weight of 330.75 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide
PubChem CID47780650
Molecular FormulaC17H12ClFN2O2
Molecular Weight330.75 g/mol
Exact Mass330.06
IUPAC NameN-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccccc21)Nc1cccc(Cl)c1F
InChIInChI=1S/C17H12ClFN2O2/c18-12-5-3-6-13(17(12)19)20-16(23)10-21-9-8-15(22)11-4-1-2-7-14(11)21/h1-9H,10H2,(H,20,23)
InChIKeyMGJCGEHWPIKDQD-UHFFFAOYSA-N
XLogP3.43
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872
2-(6-fluoro-4-oxoquinolin-1-yl)-N-naphthalen-1-ylacetamide
CID 100743004
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780117
N-(3-chloro-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9146070
N-(3-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 43832718
3-chloro-N-(3-chloro-2-fluorophenyl)propanamide
CID 28830698
N-(2-aminophenyl)-2-(4-fluoroindol-1-yl)acetamide
CID 82782601
N-(2-ethylphenyl)-2-(8-fluoro-4-oxoquinolin-1-yl)acetamide
CID 43832820
N-(3-chloro-4-methoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47779782
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 110001825
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 60586066
1-[2-(2-chloroanilino)ethyl]quinolin-4-one
CID 62564944

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide (CID 47780650) is N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide is O=C(Cn1ccc(=O)c2ccccc21)Nc1cccc(Cl)c1F.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide?
The InChIKey is MGJCGEHWPIKDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2/c18-12-5-3-6-13(17(12)19)20-16(23)10-21-9-8-15(22)11-4-1-2-7-14(11)21/h1-9H,10H2,(H,20,23).
What are the key properties of N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide?
N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide has a molecular weight of 330.75 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 47780650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).