N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

C21H23FN2O — CID 113211880

IUPACN-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C21H23FN2O/c1-13-15(16-11-14(22)9-10-18(16)23-13)12-20(25)24-19-8-6-5-7-17(19)21(2,3)4/h5-11,23H,12H2,1-4H3,(H,24,25)
InChIKeyBCKRGZXQBKVURC-UHFFFAOYSA-N
MW338.43 g/mol
LogP5.09
Rot. Bonds3

About N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (PubChem CID 113211880) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
PubChem CID113211880
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC NameN-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C21H23FN2O/c1-13-15(16-11-14(22)9-10-18(16)23-13)12-20(25)24-19-8-6-5-7-17(19)21(2,3)4/h5-11,23H,12H2,1-4H3,(H,24,25)
InChIKeyBCKRGZXQBKVURC-UHFFFAOYSA-N
XLogP5.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.43
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31856595
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113212039
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31901245
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
CID 10826823
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32607717
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide
CID 3655714
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide
CID 31899230
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
CID 109380737
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436028
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31960878
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (CID 113211880) is N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is BCKRGZXQBKVURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-13-15(16-11-14(22)9-10-18(16)23-13)12-20(25)24-19-8-6-5-7-17(19)21(2,3)4/h5-11,23H,12H2,1-4H3,(H,24,25).
What are the key properties of N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 338.43 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 113211880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).