N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide

C20H16F2N2O — CID 9247827

IUPACN-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C20H16F2N2O/c21-12-9-10-18(15(22)11-12)24-20(25)19-13-5-1-3-7-16(13)23-17-8-4-2-6-14(17)19/h1,3,5,7,9-11H,2,4,6,8H2,(H,24,25)
InChIKeySBIBQNWUWMRYMB-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.64
Rot. Bonds2

About N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide

N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide (PubChem CID 9247827) has the molecular formula C20H16F2N2O and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
PubChem CID9247827
Molecular FormulaC20H16F2N2O
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC NameN-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C20H16F2N2O/c21-12-9-10-18(15(22)11-12)24-20(25)19-13-5-1-3-7-16(13)23-17-8-4-2-6-14(17)19/h1,3,5,7,9-11H,2,4,6,8H2,(H,24,25)
InChIKeySBIBQNWUWMRYMB-UHFFFAOYSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 21203854
N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 29452933
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862181
(2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 2094922
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 21203873
7-chloro-N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799495
N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 55782034
methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate
CID 9247815

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide (CID 9247827) is N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide is O=C(Nc1ccc(F)cc1F)c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide?
The InChIKey is SBIBQNWUWMRYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O/c21-12-9-10-18(15(22)11-12)24-20(25)19-13-5-1-3-7-16(13)23-17-8-4-2-6-14(17)19/h1,3,5,7,9-11H,2,4,6,8H2,(H,24,25).
What are the key properties of N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide?
N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide is sourced from PubChem (CID 9247827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).