N-[1-(2-fluorophenyl)-6-methanimidoyl-2-propan-2-ylindol-5-yl]-2,2-dimethylpropanamide

C23H26FN3O — CID 155734587

IUPACN-[1-(2-fluorophenyl)-6-methanimidoyl-2-propan-2-ylindol-5-yl]-2,2-dimethylpropanamide
SMILES[H]/N=C/c1cc2c(cc1NC(=O)C(C)(C)C)cc(C(C)C)n2-c1ccccc1F
InChIInChI=1S/C23H26FN3O/c1-14(2)20-11-15-10-18(26-22(28)23(3,4)5)16(13-25)12-21(15)27(20)19-9-7-6-8-17(19)24/h6-14,25H,1-5H3,(H,26,28)/b25-13+
InChIKeyHKNKHWGMKZURDM-DHRITJCHSA-N
MW379.48 g/mol
LogP5.88
Rot. Bonds4

About N-[1-(2-fluorophenyl)-6-methanimidoyl-2-propan-2-ylindol-5-yl]-2,2-dimethylpropanamide

N-[1-(2-fluorophenyl)-6-methanimidoyl-2-propan-2-ylindol-5-yl]-2,2-dimethylpropanamide (PubChem CID 155734587) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-6-methanimidoyl-2-propan-2-ylindol-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-6-methanimidoyl-2-propan-2-ylindol-5-yl]-2,2-dimethylpropanamide
PubChem CID155734587
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC NameN-[1-(2-fluorophenyl)-6-methanimidoyl-2-propan-2-ylindol-5-yl]-2,2-dimethylpropanamide
SMILES[H]/N=C/c1cc2c(cc1NC(=O)C(C)(C)C)cc(C(C)C)n2-c1ccccc1F
InChIInChI=1S/C23H26FN3O/c1-14(2)20-11-15-10-18(26-22(28)23(3,4)5)16(13-25)12-21(15)27(20)19-9-7-6-8-17(19)24/h6-14,25H,1-5H3,(H,26,28)/b25-13+
InChIKeyHKNKHWGMKZURDM-DHRITJCHSA-N
XLogP5.88
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[5-(2,2-dimethylpropanoylamino)-1-(3-fluorophenyl)-6-methanimidoyl-2-methylindol-3-yl]benzoate
CID 155734631
N-[2-cyclohexyl-1-(4-fluorocyclohexa-2,4-dien-1-yl)-6-methanimidoyl-3-methylindol-5-yl]-2,2-dimethylpropanamide
CID 155734474
N-[3-bromo-4-(3,4-difluoroanilino)-2-fluoro-6-methanimidoylphenyl]-2,2-dimethylpropanamide
CID 171072319
6-(2,2-dimethylpropanoylamino)-2-[4-(2-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 46326993
1-(2-fluorophenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 60725596
N-[2-chloro-4-(4-fluorophenyl)-6-methanimidoyl-8-methyl-3-propan-2-ylquinolin-7-yl]-2,2-dimethylpropanamide
CID 166783482
2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol
CID 171500785
[4-chloro-2-(2,2-dimethylpropanoylamino)phenyl]boronic acid
CID 154729958
4-[(3-fluorophenyl)methylamino]-3-methanimidoylbenzoic acid
CID 177142976
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
N-(2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 64795167
N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-6-methanimidoyl-2-propan-2-ylindol-5-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(2-fluorophenyl)-6-methanimidoyl-2-propan-2-ylindol-5-yl]-2,2-dimethylpropanamide (CID 155734587) is N-[1-(2-fluorophenyl)-6-methanimidoyl-2-propan-2-ylindol-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-6-methanimidoyl-2-propan-2-ylindol-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-6-methanimidoyl-2-propan-2-ylindol-5-yl]-2,2-dimethylpropanamide is [H]/N=C/c1cc2c(cc1NC(=O)C(C)(C)C)cc(C(C)C)n2-c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)-6-methanimidoyl-2-propan-2-ylindol-5-yl]-2,2-dimethylpropanamide?
The InChIKey is HKNKHWGMKZURDM-DHRITJCHSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-14(2)20-11-15-10-18(26-22(28)23(3,4)5)16(13-25)12-21(15)27(20)19-9-7-6-8-17(19)24/h6-14,25H,1-5H3,(H,26,28)/b25-13+.
What are the key properties of N-[1-(2-fluorophenyl)-6-methanimidoyl-2-propan-2-ylindol-5-yl]-2,2-dimethylpropanamide?
N-[1-(2-fluorophenyl)-6-methanimidoyl-2-propan-2-ylindol-5-yl]-2,2-dimethylpropanamide has a molecular weight of 379.48 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-6-methanimidoyl-2-propan-2-ylindol-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 155734587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).