N-(4-chloro-2-methylphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide

C25H23ClN2O2 — CID 15991091

IUPACN-(4-chloro-2-methylphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
SMILESCc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C25H23ClN2O2/c1-16-9-12-23-20(14-16)25(30)19-6-3-4-7-22(19)28(23)13-5-8-24(29)27-21-11-10-18(26)15-17(21)2/h3-4,6-7,9-12,14-15H,5,8,13H2,1-2H3,(H,27,29)
InChIKeyNRRVBCIWCDHKRN-UHFFFAOYSA-N
MW418.92 g/mol
LogP5.84
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide

N-(4-chloro-2-methylphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide (PubChem CID 15991091) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
PubChem CID15991091
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC NameN-(4-chloro-2-methylphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
SMILESCc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C25H23ClN2O2/c1-16-9-12-23-20(14-16)25(30)19-6-3-4-7-22(19)28(23)13-5-8-24(29)27-21-11-10-18(26)15-17(21)2/h3-4,6-7,9-12,14-15H,5,8,13H2,1-2H3,(H,27,29)
InChIKeyNRRVBCIWCDHKRN-UHFFFAOYSA-N
XLogP5.84
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide (CID 15991091) is N-(4-chloro-2-methylphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide is Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide?
The InChIKey is NRRVBCIWCDHKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c1-16-9-12-23-20(14-16)25(30)19-6-3-4-7-22(19)28(23)13-5-8-24(29)27-21-11-10-18(26)15-17(21)2/h3-4,6-7,9-12,14-15H,5,8,13H2,1-2H3,(H,27,29).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide?
N-(4-chloro-2-methylphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide has a molecular weight of 418.92 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide is sourced from PubChem (CID 15991091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).