N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide

C22H16ClFN2O3 — CID 6616650

IUPACN-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide
SMILESCOc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C22H16ClFN2O3/c1-29-14-7-9-20-16(11-14)22(28)15-4-2-3-5-19(15)26(20)12-21(27)25-18-8-6-13(24)10-17(18)23/h2-11H,12H2,1H3,(H,25,27)
InChIKeyZXFOEXJJPRRFGI-UHFFFAOYSA-N
MW410.83 g/mol
LogP4.59
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide

N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide (PubChem CID 6616650) has the molecular formula C22H16ClFN2O3 and a molecular weight of 410.83 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide
PubChem CID6616650
Molecular FormulaC22H16ClFN2O3
Molecular Weight410.83 g/mol
Exact Mass410.08
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide
SMILESCOc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C22H16ClFN2O3/c1-29-14-7-9-20-16(11-14)22(28)15-4-2-3-5-19(15)26(20)12-21(27)25-18-8-6-13(24)10-17(18)23/h2-11H,12H2,1H3,(H,25,27)
InChIKeyZXFOEXJJPRRFGI-UHFFFAOYSA-N
XLogP4.59
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxy-9-oxoacridin-10-yl)-N-(3-methoxyphenyl)acetamide
CID 15992736
2-(2-chloro-9-oxoacridin-10-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6615384
2-(2-methoxy-9-oxoacridin-10-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 6616693
2-(2-fluoro-9-oxoacridin-10-yl)-N-phenylacetamide
CID 166637503
N-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide
CID 15997885
2-(3-chloro-9-oxoacridin-10-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 22330410
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 22330285
N-(2-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 4639629
N-(3-fluorophenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 15993730
N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110777932
2-(6-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 1417073
N-(2,4-dimethoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502390

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide (CID 6616650) is N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide is COc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide?
The InChIKey is ZXFOEXJJPRRFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O3/c1-29-14-7-9-20-16(11-14)22(28)15-4-2-3-5-19(15)26(20)12-21(27)25-18-8-6-13(24)10-17(18)23/h2-11H,12H2,1H3,(H,25,27).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide has a molecular weight of 410.83 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 6616650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).