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

C19H28ClFN2O — CID 119318726

IUPACN-[2-(4-fluorophenyl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CC2CCCCC2N1)c1ccc(F)cc1.Cl
InChIInChI=1S/C19H27FN2O.ClH/c1-19(2,14-7-9-15(20)10-8-14)12-21-18(23)17-11-13-5-3-4-6-16(13)22-17;/h7-10,13,16-17,22H,3-6,11-12H2,1-2H3,(H,21,23);1H
InChIKeyVNHUMKHRJLAXRF-UHFFFAOYSA-N
MW354.90 g/mol
LogP3.56
Rot. Bonds4

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

N-[2-(4-fluorophenyl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (PubChem CID 119318726) has the molecular formula C19H28ClFN2O and a molecular weight of 354.90 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
PubChem CID119318726
Molecular FormulaC19H28ClFN2O
Molecular Weight354.90 g/mol
Exact Mass354.19
IUPAC NameN-[2-(4-fluorophenyl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CC2CCCCC2N1)c1ccc(F)cc1.Cl
InChIInChI=1S/C19H27FN2O.ClH/c1-19(2,14-7-9-15(20)10-8-14)12-21-18(23)17-11-13-5-3-4-6-16(13)22-17;/h7-10,13,16-17,22H,3-6,11-12H2,1-2H3,(H,21,23);1H
InChIKeyVNHUMKHRJLAXRF-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119313402
N-(2,2,2-trifluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119290994
N-[[4-(trifluoromethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119275113
N-[3-[(4-fluorobenzoyl)amino]propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119323217
N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119275603
N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 63227285
N-[2-[(4-methylbenzoyl)amino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119299582
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119829951
N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119275604
N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119306345
N-[2-(2,6-difluorophenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119288885
N-[[2-(difluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119276984

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (CID 119318726) is N-[2-(4-fluorophenyl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is CC(C)(CNC(=O)C1CC2CCCCC2N1)c1ccc(F)cc1.Cl.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is VNHUMKHRJLAXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O.ClH/c1-19(2,14-7-9-15(20)10-8-14)12-21-18(23)17-11-13-5-3-4-6-16(13)22-17;/h7-10,13,16-17,22H,3-6,11-12H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[2-(4-fluorophenyl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
N-[2-(4-fluorophenyl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 354.90 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119318726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).