N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide

C22H26F3N3O — CID 11153961

IUPACN-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cc2c(cc1N)N(Cc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C22H26F3N3O/c1-21(2,3)12-20(29)27-18-10-15-8-9-28(19(15)11-17(18)26)13-14-4-6-16(7-5-14)22(23,24)25/h4-7,10-11H,8-9,12-13,26H2,1-3H3,(H,27,29)
InChIKeyIAZYLAOKVSTMMF-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.22
Rot. Bonds4

About N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide

N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide (PubChem CID 11153961) has the molecular formula C22H26F3N3O and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide
PubChem CID11153961
Molecular FormulaC22H26F3N3O
Molecular Weight405.46 g/mol
Exact Mass405.20
IUPAC NameN-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cc2c(cc1N)N(Cc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C22H26F3N3O/c1-21(2,3)12-20(29)27-18-10-15-8-9-28(19(15)11-17(18)26)13-14-4-6-16(7-5-14)22(23,24)25/h4-7,10-11H,8-9,12-13,26H2,1-3H3,(H,27,29)
InChIKeyIAZYLAOKVSTMMF-UHFFFAOYSA-N
XLogP5.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(1-acetylindolin-6-yl)-1-(3-(trifluoromethyl)phenyl)piperidine-4-carboxamide
CID 11618868
N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide
CID 148983099
N-(1-acetylindolin-7-yl)-1-(3-(trifluoromethyl)phenyl)piperidine-4-carboxamide
CID 11568188
N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]heptanamide
CID 154663577
N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide
CID 154663591
N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide
CID 154663716
N-[2-amino-4-[(2,6-difluorophenyl)methylamino]phenyl]-3,3-dimethylbutanamide
CID 168271382
N-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide
CID 154663631
N-[2-amino-4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-3,3-dimethylbutanamide
CID 154663669
N-[2-amino-4-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide
CID 154663694
3,3-dimethyl-N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide
CID 154663739
N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]dodecanamide
CID 154663769

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide (CID 11153961) is N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cc2c(cc1N)N(Cc1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide?
The InChIKey is IAZYLAOKVSTMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O/c1-21(2,3)12-20(29)27-18-10-15-8-9-28(19(15)11-17(18)26)13-14-4-6-16(7-5-14)22(23,24)25/h4-7,10-11H,8-9,12-13,26H2,1-3H3,(H,27,29).
What are the key properties of N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide?
N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide has a molecular weight of 405.46 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 11153961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).