2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide

C18H17FN2O — CID 31855827

IUPAC2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C18H17FN2O/c1-11-3-6-14(7-4-11)21-18(22)10-15-12(2)20-17-8-5-13(19)9-16(15)17/h3-9,20H,10H2,1-2H3,(H,21,22)
InChIKeyIZBUDVBELQSYRT-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.11
Rot. Bonds3

About 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide (PubChem CID 31855827) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
PubChem CID31855827
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C18H17FN2O/c1-11-3-6-14(7-4-11)21-18(22)10-15-12(2)20-17-8-5-13(19)9-16(15)17/h3-9,20H,10H2,1-2H3,(H,21,22)
InChIKeyIZBUDVBELQSYRT-UHFFFAOYSA-N
XLogP4.11
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.11
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-(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
N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 86857821
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-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
CID 113212078
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
N-[4-[1-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46474815
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56507013
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]acetamide
CID 60550111

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide (CID 31855827) is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)cc1.
What is the InChIKey of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is IZBUDVBELQSYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-11-3-6-14(7-4-11)21-18(22)10-15-12(2)20-17-8-5-13(19)9-16(15)17/h3-9,20H,10H2,1-2H3,(H,21,22).
What are the key properties of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide?
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 296.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 31855827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).