N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide

C24H20F2N2O3 — CID 25337144

IUPACN-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H20F2N2O3/c1-15(16-10-12-17(13-11-16)31-24(25)26)27-22(29)14-28-20-8-4-2-6-18(20)23(30)19-7-3-5-9-21(19)28/h2-13,15,24H,14H2,1H3,(H,27,29)/t15-/m1/s1
InChIKeyWKPBGTMYJZBULI-OAHLLOKOSA-N
MW422.43 g/mol
LogP4.63
Rot. Bonds6

About N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide

N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 25337144) has the molecular formula C24H20F2N2O3 and a molecular weight of 422.43 g/mol. Its IUPAC name is N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID25337144
Molecular FormulaC24H20F2N2O3
Molecular Weight422.43 g/mol
Exact Mass422.14
IUPAC NameN-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H20F2N2O3/c1-15(16-10-12-17(13-11-16)31-24(25)26)27-22(29)14-28-20-8-4-2-6-18(20)23(30)19-7-3-5-9-21(19)28/h2-13,15,24H,14H2,1H3,(H,27,29)/t15-/m1/s1
InChIKeyWKPBGTMYJZBULI-OAHLLOKOSA-N
XLogP4.63
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.63
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

N-[1-(4-ethoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16622504
N-[1-(4-fluorophenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46550695
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 30044158
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 55502933
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55710560
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42888994
N-(2-methyl-1-phenylpropyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16606060
2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 134051234
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25347204
2-(9-oxoacridin-10-yl)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 60604671
2-(cyclopropylmethylamino)-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119720123
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587551

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide (CID 25337144) is N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide is C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is WKPBGTMYJZBULI-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H20F2N2O3/c1-15(16-10-12-17(13-11-16)31-24(25)26)27-22(29)14-28-20-8-4-2-6-18(20)23(30)19-7-3-5-9-21(19)28/h2-13,15,24H,14H2,1H3,(H,27,29)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 422.43 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 25337144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).