N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide

C26H25F2N3O2 — CID 60598710

IUPACN-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C26H25F2N3O2/c1-29(2)13-14-30(16-18-11-12-21(27)22(28)15-18)25(32)17-31-23-9-5-3-7-19(23)26(33)20-8-4-6-10-24(20)31/h3-12,15H,13-14,16-17H2,1-2H3
InChIKeyORYHGTODAIGYSW-UHFFFAOYSA-N
MW449.50 g/mol
LogP4.02
Rot. Bonds7

About N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide

N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 60598710) has the molecular formula C26H25F2N3O2 and a molecular weight of 449.50 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID60598710
Molecular FormulaC26H25F2N3O2
Molecular Weight449.50 g/mol
Exact Mass449.19
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C26H25F2N3O2/c1-29(2)13-14-30(16-18-11-12-21(27)22(28)15-18)25(32)17-31-23-9-5-3-7-19(23)26(33)20-8-4-6-10-24(20)31/h3-12,15H,13-14,16-17H2,1-2H3
InChIKeyORYHGTODAIGYSW-UHFFFAOYSA-N
XLogP4.02
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
CID 52553414
N-[(3-fluorophenyl)methyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 18144983
N-methyl-N-(naphthalen-2-ylmethyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16621695
N-(2-hydroxyethyl)-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 110885996
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(9-oxoacridin-10-yl)acetamide
CID 60524661
10-[2-(dimethylamino)ethyl]acridin-9-one
CID 3014731
N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide
CID 38744100
N-[2-(diethylamino)ethyl]-2-[4-oxo-2-[2-(3,4,5-trifluorophenyl)ethyl]quinazolin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 44535429
2-carbazol-9-yl-N,N-dipropylacetamide
CID 14874688
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 46588611
N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide
CID 25348614
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612552

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide (CID 60598710) is N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide is CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is ORYHGTODAIGYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O2/c1-29(2)13-14-30(16-18-11-12-21(27)22(28)15-18)25(32)17-31-23-9-5-3-7-19(23)26(33)20-8-4-6-10-24(20)31/h3-12,15H,13-14,16-17H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 449.50 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 60598710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).