ethane;5-fluoro-N-(4-heptan-4-ylphenyl)-1,3-dihydroisoindole-2-carboxamide

C24H33FN2O — CID 176960851

IUPACethane;5-fluoro-N-(4-heptan-4-ylphenyl)-1,3-dihydroisoindole-2-carboxamide
SMILESCC.CCCC(CCC)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1
InChIInChI=1S/C22H27FN2O.C2H6/c1-3-5-16(6-4-2)17-8-11-21(12-9-17)24-22(26)25-14-18-7-10-20(23)13-19(18)15-25;1-2/h7-13,16H,3-6,14-15H2,1-2H3,(H,24,26);1-2H3
InChIKeyUAWPVOJWNLPDNN-UHFFFAOYSA-N
MW384.54 g/mol
LogP7.08
Rot. Bonds6

About ethane;5-fluoro-N-(4-heptan-4-ylphenyl)-1,3-dihydroisoindole-2-carboxamide

ethane;5-fluoro-N-(4-heptan-4-ylphenyl)-1,3-dihydroisoindole-2-carboxamide (PubChem CID 176960851) has the molecular formula C24H33FN2O and a molecular weight of 384.54 g/mol. Its IUPAC name is ethane;5-fluoro-N-(4-heptan-4-ylphenyl)-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound Nameethane;5-fluoro-N-(4-heptan-4-ylphenyl)-1,3-dihydroisoindole-2-carboxamide
PubChem CID176960851
Molecular FormulaC24H33FN2O
Molecular Weight384.54 g/mol
Exact Mass384.26
IUPAC Nameethane;5-fluoro-N-(4-heptan-4-ylphenyl)-1,3-dihydroisoindole-2-carboxamide
SMILESCC.CCCC(CCC)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1
InChIInChI=1S/C22H27FN2O.C2H6/c1-3-5-16(6-4-2)17-8-11-21(12-9-17)24-22(26)25-14-18-7-10-20(23)13-19(18)15-25;1-2/h7-13,16H,3-6,14-15H2,1-2H3,(H,24,26);1-2H3
InChIKeyUAWPVOJWNLPDNN-UHFFFAOYSA-N
XLogP7.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide
CID 175773475
methyl 4-[4-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]bicyclo[2.2.2]octane-1-carboxylate
CID 176961003
5-fluoro-N-[4-[3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 176960520
N-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide
CID 70476697
5-[(2,4-difluoro-6-methoxyphenyl)sulfamoyl]-N-(4-propan-2-ylphenyl)-1,3-dihydroisoindole-2-carboxamide
CID 118074509
N-[4-[1-(dimethylaminosulfanylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 176961080
4-[bis(4-fluorophenyl)methyl]-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 4988040
N-[4-(1-acetylsulfinamoyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 176960683
N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(4-fluorophenyl)hexanamide
CID 110354245
5-fluoro-N-[4-[1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoacetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 176960401
N-[4-[4-[(2-acetamido-2-methylpropyl)-methylcarbamoyl]-1-bicyclo[2.2.2]octanyl]phenyl]-5-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 176960386
ethane;5-fluoro-N-[(3Z,6E)-6-methyl-5-methylidenenona-1,3,6-trien-2-yl]-1,3-dihydroisoindole-2-carboxamide
CID 176960895

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-N-(4-heptan-4-ylphenyl)-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of ethane;5-fluoro-N-(4-heptan-4-ylphenyl)-1,3-dihydroisoindole-2-carboxamide (CID 176960851) is ethane;5-fluoro-N-(4-heptan-4-ylphenyl)-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for ethane;5-fluoro-N-(4-heptan-4-ylphenyl)-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for ethane;5-fluoro-N-(4-heptan-4-ylphenyl)-1,3-dihydroisoindole-2-carboxamide is CC.CCCC(CCC)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1.
What is the InChIKey of ethane;5-fluoro-N-(4-heptan-4-ylphenyl)-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is UAWPVOJWNLPDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O.C2H6/c1-3-5-16(6-4-2)17-8-11-21(12-9-17)24-22(26)25-14-18-7-10-20(23)13-19(18)15-25;1-2/h7-13,16H,3-6,14-15H2,1-2H3,(H,24,26);1-2H3.
What are the key properties of ethane;5-fluoro-N-(4-heptan-4-ylphenyl)-1,3-dihydroisoindole-2-carboxamide?
ethane;5-fluoro-N-(4-heptan-4-ylphenyl)-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 384.54 g/mol, XLogP of 7.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-N-(4-heptan-4-ylphenyl)-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 176960851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).