N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

C19H19FN2O — CID 31901245

IUPACN-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)c1
InChIInChI=1S/C19H19FN2O/c1-11-6-12(2)8-15(7-11)22-19(23)10-16-13(3)21-18-5-4-14(20)9-17(16)18/h4-9,21H,10H2,1-3H3,(H,22,23)
InChIKeyLSDLGRAKIIOJNR-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.41
Rot. Bonds3

About N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (PubChem CID 31901245) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
PubChem CID31901245
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC NameN-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)c1
InChIInChI=1S/C19H19FN2O/c1-11-6-12(2)8-15(7-11)22-19(23)10-16-13(3)21-18-5-4-14(20)9-17(16)18/h4-9,21H,10H2,1-3H3,(H,22,23)
InChIKeyLSDLGRAKIIOJNR-UHFFFAOYSA-N
XLogP4.41
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.41
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

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
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-pyridin-3-ylacetamide
CID 3655714
N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 86857821
N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 113211880
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]acetamide
CID 60550111
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide
CID 31899230
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
CID 113212078
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31856595
N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide
CID 78852324
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide
CID 91954220

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (CID 31901245) is N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is Cc1cc(C)cc(NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is LSDLGRAKIIOJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-11-6-12(2)8-15(7-11)22-19(23)10-16-13(3)21-18-5-4-14(20)9-17(16)18/h4-9,21H,10H2,1-3H3,(H,22,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 310.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 31901245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).