N-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C17H23FN2O — CID 66468787

IUPACN-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCN(C(=O)C1CCC2CCCCC2N1)c1ccccc1F
InChIInChI=1S/C17H23FN2O/c1-20(16-9-5-3-7-13(16)18)17(21)15-11-10-12-6-2-4-8-14(12)19-15/h3,5,7,9,12,14-15,19H,2,4,6,8,10-11H2,1H3
InChIKeyROBVPWQQNTVLQL-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.10
Rot. Bonds2

About N-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 66468787) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID66468787
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCN(C(=O)C1CCC2CCCCC2N1)c1ccccc1F
InChIInChI=1S/C17H23FN2O/c1-20(16-9-5-3-7-13(16)18)17(21)15-11-10-12-6-2-4-8-14(12)19-15/h3,5,7,9,12,14-15,19H,2,4,6,8,10-11H2,1H3
InChIKeyROBVPWQQNTVLQL-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide with MolForge

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Related Compounds

N-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470763
N-methyl-N-pyridin-4-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 106935062
N-methyl-N-pyridin-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471611
N-[(2-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43579164
N-(2-fluorophenyl)-N,4-dimethylpiperidine-2-carboxamide
CID 114423883
N-(2-fluorophenyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150795
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-phenylethanone
CID 116585916
3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride
CID 174490608
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-(4-fluorophenyl)ethanone
CID 116585974
N-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 78917930
5-cyclopropyl-N-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 164646306
N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470400

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 66468787) is N-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is CN(C(=O)C1CCC2CCCCC2N1)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is ROBVPWQQNTVLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-20(16-9-5-3-7-13(16)18)17(21)15-11-10-12-6-2-4-8-14(12)19-15/h3,5,7,9,12,14-15,19H,2,4,6,8,10-11H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 290.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 66468787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).