N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide

C27H18FN3O5 — CID 46498530

IUPACN-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C27H18FN3O5/c28-17-9-11-20(12-10-17)36-21-14-18(13-19(15-21)31(34)35)29-26(32)16-30-24-7-3-1-5-22(24)27(33)23-6-2-4-8-25(23)30/h1-15H,16H2,(H,29,32)
InChIKeyDCUXPZZCHWXSRZ-UHFFFAOYSA-N
MW483.46 g/mol
LogP5.63
Rot. Bonds6

About N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide

N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 46498530) has the molecular formula C27H18FN3O5 and a molecular weight of 483.46 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID46498530
Molecular FormulaC27H18FN3O5
Molecular Weight483.46 g/mol
Exact Mass483.12
IUPAC NameN-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C27H18FN3O5/c28-17-9-11-20(12-10-17)36-21-14-18(13-19(15-21)31(34)35)29-26(32)16-30-24-7-3-1-5-22(24)27(33)23-6-2-4-8-25(23)30/h1-15H,16H2,(H,29,32)
InChIKeyDCUXPZZCHWXSRZ-UHFFFAOYSA-N
XLogP5.63
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.46
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15995562
2-(2-fluoro-9-oxoacridin-10-yl)-N-phenylacetamide
CID 166637503
2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 6615367
2-(2-methoxy-9-oxoacridin-10-yl)-N-(3-methoxyphenyl)acetamide
CID 15992736
(4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate
CID 16605438
2-(4,5-dinitroimidazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)acetamide
CID 4661288
4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]butanamide
CID 12004814
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587266
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]acetamide
CID 19515738
2-(3,5-dimethylpyrazol-1-yl)-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]acetamide
CID 19525830
N-(2-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 4639629
N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19524316

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide (CID 46498530) is N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1.
What is the InChIKey of N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is DCUXPZZCHWXSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18FN3O5/c28-17-9-11-20(12-10-17)36-21-14-18(13-19(15-21)31(34)35)29-26(32)16-30-24-7-3-1-5-22(24)27(33)23-6-2-4-8-25(23)30/h1-15H,16H2,(H,29,32).
What are the key properties of N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 483.46 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 46498530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).