2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide

C27H18Cl2N2O3 — CID 6615367

IUPAC2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccc(Cl)cc21)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H18Cl2N2O3/c28-17-5-10-20(11-6-17)34-21-12-8-19(9-13-21)30-26(32)16-31-24-4-2-1-3-22(24)27(33)23-14-7-18(29)15-25(23)31/h1-15H,16H2,(H,30,32)
InChIKeyIUXBAJFEWYOIID-UHFFFAOYSA-N
MW489.36 g/mol
LogP6.89
Rot. Bonds5

About 2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide

2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide (PubChem CID 6615367) has the molecular formula C27H18Cl2N2O3 and a molecular weight of 489.36 g/mol. Its IUPAC name is 2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
PubChem CID6615367
Molecular FormulaC27H18Cl2N2O3
Molecular Weight489.36 g/mol
Exact Mass488.07
IUPAC Name2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccc(Cl)cc21)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H18Cl2N2O3/c28-17-5-10-20(11-6-17)34-21-12-8-19(9-13-21)30-26(32)16-31-24-4-2-1-3-22(24)27(33)23-14-7-18(29)15-25(23)31/h1-15H,16H2,(H,30,32)
InChIKeyIUXBAJFEWYOIID-UHFFFAOYSA-N
XLogP6.89
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.36
LogP ≤ 56.89
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-(3-chloro-9-oxoacridin-10-yl)-N-(3-chlorophenyl)acetamide
CID 22330394
N-(3-chlorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15991917
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587266
2-(3-chloro-9-oxoacridin-10-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 22330410
3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide
CID 55840369
2-(2-fluoro-9-oxoacridin-10-yl)-N-phenylacetamide
CID 166637503
N-(3-nitro-5-phenoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15995562
N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46498530
2-[3-(4-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17027583
2-(2-methoxy-9-oxoacridin-10-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 6616693
2-(2-methoxy-9-oxoacridin-10-yl)-N-(3-methoxyphenyl)acetamide
CID 15992736
1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea
CID 133064039

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide?
The IUPAC name of 2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide (CID 6615367) is 2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide is O=C(Cn1c2ccccc2c(=O)c2ccc(Cl)cc21)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide?
The InChIKey is IUXBAJFEWYOIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2N2O3/c28-17-5-10-20(11-6-17)34-21-12-8-19(9-13-21)30-26(32)16-31-24-4-2-1-3-22(24)27(33)23-14-7-18(29)15-25(23)31/h1-15H,16H2,(H,30,32).
What are the key properties of 2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide?
2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide has a molecular weight of 489.36 g/mol, XLogP of 6.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide is sourced from PubChem (CID 6615367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).