(2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide

C21H18BrFN2O — CID 2094922

IUPAC(2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESC[C@H]1CCc2nc3ccccc3c(C(=O)Nc3ccc(Br)cc3F)c2C1
InChIInChI=1S/C21H18BrFN2O/c1-12-6-8-18-15(10-12)20(14-4-2-3-5-17(14)24-18)21(26)25-19-9-7-13(22)11-16(19)23/h2-5,7,9,11-12H,6,8,10H2,1H3,(H,25,26)/t12-/m0/s1
InChIKeyWBHFHKOKGBMEQL-LBPRGKRZSA-N
MW413.29 g/mol
LogP5.51
Rot. Bonds2

About (2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide

(2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide (PubChem CID 2094922) has the molecular formula C21H18BrFN2O and a molecular weight of 413.29 g/mol. Its IUPAC name is (2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
PubChem CID2094922
Molecular FormulaC21H18BrFN2O
Molecular Weight413.29 g/mol
Exact Mass412.06
IUPAC Name(2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESC[C@H]1CCc2nc3ccccc3c(C(=O)Nc3ccc(Br)cc3F)c2C1
InChIInChI=1S/C21H18BrFN2O/c1-12-6-8-18-15(10-12)20(14-4-2-3-5-17(14)24-18)21(26)25-19-9-7-13(22)11-16(19)23/h2-5,7,9,11-12H,6,8,10H2,1H3,(H,25,26)/t12-/m0/s1
InChIKeyWBHFHKOKGBMEQL-LBPRGKRZSA-N
XLogP5.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.29
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23990402
N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 42905717
N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 9247827
N-(2,4-dibromophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 21203854
(2R)-N-cycloheptyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 7886798
(2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 2475453
(6R)-N-(4-bromo-2-fluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 2495222
(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 40855207
(2R)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 40855204
6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 63462975
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2428411
N-(4-bromo-2-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4617189

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The IUPAC name of (2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide (CID 2094922) is (2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide.
What is the SMILES notation for (2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The canonical SMILES for (2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide is C[C@H]1CCc2nc3ccccc3c(C(=O)Nc3ccc(Br)cc3F)c2C1.
What is the InChIKey of (2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The InChIKey is WBHFHKOKGBMEQL-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H18BrFN2O/c1-12-6-8-18-15(10-12)20(14-4-2-3-5-17(14)24-18)21(26)25-19-9-7-13(22)11-16(19)23/h2-5,7,9,11-12H,6,8,10H2,1H3,(H,25,26)/t12-/m0/s1.
What are the key properties of (2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
(2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide has a molecular weight of 413.29 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide is sourced from PubChem (CID 2094922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).