N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide

C24H21ClN2O2 — CID 15994556

IUPACN-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide
SMILESO=C(CCCn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN2O2/c25-18-13-11-17(12-14-18)16-26-23(28)10-5-15-27-21-8-3-1-6-19(21)24(29)20-7-2-4-9-22(20)27/h1-4,6-9,11-14H,5,10,15-16H2,(H,26,28)
InChIKeyNVQWSILDIXWXOS-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.90
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide

N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide (PubChem CID 15994556) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide
PubChem CID15994556
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide
SMILESO=C(CCCn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN2O2/c25-18-13-11-17(12-14-18)16-26-23(28)10-5-15-27-21-8-3-1-6-19(21)24(29)20-7-2-4-9-22(20)27/h1-4,6-9,11-14H,5,10,15-16H2,(H,26,28)
InChIKeyNVQWSILDIXWXOS-UHFFFAOYSA-N
XLogP4.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.90
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

N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522604
5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide
CID 50763075
2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid
CID 66853989
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502441
N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide
CID 15998600
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
10-(6-chlorohexyl)acridin-9-one
CID 44566069
10-(3-hydroxypropyl)acridin-9-one
CID 12677142
6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide
CID 70696942
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
CID 109018753
4-[(4-chlorophenyl)methylamino]-4-oxobutanoic acid
CID 879591

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide (CID 15994556) is N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide is O=C(CCCn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide?
The InChIKey is NVQWSILDIXWXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c25-18-13-11-17(12-14-18)16-26-23(28)10-5-15-27-21-8-3-1-6-19(21)24(29)20-7-2-4-9-22(20)27/h1-4,6-9,11-14H,5,10,15-16H2,(H,26,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide?
N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide has a molecular weight of 404.90 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide is sourced from PubChem (CID 15994556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).