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

C20H21FN2O — CID 113211908

IUPACN-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cc1c(C)[nH]c2ccc(F)cc12)c1cccc(C)c1
InChIInChI=1S/C20H21FN2O/c1-4-23(16-7-5-6-13(2)10-16)20(24)12-17-14(3)22-19-9-8-15(21)11-18(17)19/h5-11,22H,4,12H2,1-3H3
InChIKeyGZBXRGFODFIYEP-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.52
Rot. Bonds4

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

N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide (PubChem CID 113211908) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide
PubChem CID113211908
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC NameN-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cc1c(C)[nH]c2ccc(F)cc12)c1cccc(C)c1
InChIInChI=1S/C20H21FN2O/c1-4-23(16-7-5-6-13(2)10-16)20(24)12-17-14(3)22-19-9-8-15(21)11-18(17)19/h5-11,22H,4,12H2,1-3H3
InChIKeyGZBXRGFODFIYEP-UHFFFAOYSA-N
XLogP4.52
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
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-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204665
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622
N-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide
CID 110428645
N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 16673637
N-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31956332
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
N-ethyl-4-fluoro-2-methyl-N-(3-methylphenyl)benzamide
CID 115745612
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]acetamide
CID 60550111
3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113146418
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-prop-2-enylacetamide
CID 31899230

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide (CID 113211908) is N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide is CCN(C(=O)Cc1c(C)[nH]c2ccc(F)cc12)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is GZBXRGFODFIYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-4-23(16-7-5-6-13(2)10-16)20(24)12-17-14(3)22-19-9-8-15(21)11-18(17)19/h5-11,22H,4,12H2,1-3H3.
What are the key properties of N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide?
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 324.40 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 113211908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).