N-[(3-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C17H23FN2O — CID 43211983

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C17H23FN2O/c1-20(11-12-5-4-7-14(18)9-12)17(21)16-10-13-6-2-3-8-15(13)19-16/h4-5,7,9,13,15-16,19H,2-3,6,8,10-11H2,1H3
InChIKeyIORKFIUSXYZNPV-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.70
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[(3-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 43211983) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID43211983
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C17H23FN2O/c1-20(11-12-5-4-7-14(18)9-12)17(21)16-10-13-6-2-3-8-15(13)19-16/h4-5,7,9,13,15-16,19H,2-3,6,8,10-11H2,1H3
InChIKeyIORKFIUSXYZNPV-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 43211983) is N-[(3-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CN(Cc1cccc(F)c1)C(=O)C1CC2CCCCC2N1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is IORKFIUSXYZNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-20(11-12-5-4-7-14(18)9-12)17(21)16-10-13-6-2-3-8-15(13)19-16/h4-5,7,9,13,15-16,19H,2-3,6,8,10-11H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[(3-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 290.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 43211983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).