N-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide

C27H19N3O5 — CID 15995562

IUPACN-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C27H19N3O5/c31-26(17-29-24-12-6-4-10-22(24)27(32)23-11-5-7-13-25(23)29)28-18-14-19(30(33)34)16-21(15-18)35-20-8-2-1-3-9-20/h1-16H,17H2,(H,28,31)
InChIKeyLWWSPJRBUSENFB-UHFFFAOYSA-N
MW465.47 g/mol
LogP5.49
Rot. Bonds6

About N-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide

N-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 15995562) has the molecular formula C27H19N3O5 and a molecular weight of 465.47 g/mol. Its IUPAC name is N-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide
PubChem CID15995562
Molecular FormulaC27H19N3O5
Molecular Weight465.47 g/mol
Exact Mass465.13
IUPAC NameN-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C27H19N3O5/c31-26(17-29-24-12-6-4-10-22(24)27(32)23-11-5-7-13-25(23)29)28-18-14-19(30(33)34)16-21(15-18)35-20-8-2-1-3-9-20/h1-16H,17H2,(H,28,31)
InChIKeyLWWSPJRBUSENFB-UHFFFAOYSA-N
XLogP5.49
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.47
LogP ≤ 55.49
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-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46498530
2-(4,5-dinitroimidazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)acetamide
CID 4661288
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-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587266
2-(2-methoxy-9-oxoacridin-10-yl)-N-(3-methoxyphenyl)acetamide
CID 15992736
N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide
CID 4223458
1-[2-[3-(4-methoxyphenoxy)-5-nitroanilino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502619
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135905091
N-(3-chlorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15991917
N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide
CID 101025595
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]acetamide
CID 19515738

Frequently Asked Questions

What is the IUPAC name of N-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide (CID 15995562) is N-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is LWWSPJRBUSENFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O5/c31-26(17-29-24-12-6-4-10-22(24)27(32)23-11-5-7-13-25(23)29)28-18-14-19(30(33)34)16-21(15-18)35-20-8-2-1-3-9-20/h1-16H,17H2,(H,28,31).
What are the key properties of N-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide?
N-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 465.47 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 15995562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).