N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide

C23H19BrN2O2 — CID 15998600

IUPACN-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide
SMILESO=C(CCCn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1Br
InChIInChI=1S/C23H19BrN2O2/c24-18-10-3-4-11-19(18)25-22(27)14-7-15-26-20-12-5-1-8-16(20)23(28)17-9-2-6-13-21(17)26/h1-6,8-13H,7,14-15H2,(H,25,27)
InChIKeyAKCDAMDETPNBRQ-UHFFFAOYSA-N
MW435.32 g/mol
LogP5.34
Rot. Bonds5

About N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide

N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide (PubChem CID 15998600) has the molecular formula C23H19BrN2O2 and a molecular weight of 435.32 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide
PubChem CID15998600
Molecular FormulaC23H19BrN2O2
Molecular Weight435.32 g/mol
Exact Mass434.06
IUPAC NameN-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide
SMILESO=C(CCCn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1Br
InChIInChI=1S/C23H19BrN2O2/c24-18-10-3-4-11-19(18)25-22(27)14-7-15-26-20-12-5-1-8-16(20)23(28)17-9-2-6-13-21(17)26/h1-6,8-13H,7,14-15H2,(H,25,27)
InChIKeyAKCDAMDETPNBRQ-UHFFFAOYSA-N
XLogP5.34
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.32
LogP ≤ 55.34
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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Related Compounds

[2-(2-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587263
N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide
CID 22522913
6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide
CID 70696942
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide
CID 15994556
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide
CID 15998549
N-(2-bromophenyl)butanamide
CID 732405
N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 15994058
5-(2-bromoanilino)-5-oxopentanoate
CID 6939173
2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid
CID 66853989
N-(2,4-dimethoxyphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 22330317
10-(3-hydroxypropyl)acridin-9-one
CID 12677142

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide?
The IUPAC name of N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide (CID 15998600) is N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide.
What is the SMILES notation for N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide?
The canonical SMILES for N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide is O=C(CCCn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide?
The InChIKey is AKCDAMDETPNBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O2/c24-18-10-3-4-11-19(18)25-22(27)14-7-15-26-20-12-5-1-8-16(20)23(28)17-9-2-6-13-21(17)26/h1-6,8-13H,7,14-15H2,(H,25,27).
What are the key properties of N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide?
N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide has a molecular weight of 435.32 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide is sourced from PubChem (CID 15998600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).