N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

C20H20FN3O2 — CID 86857821

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C20H20FN3O2/c1-12-17(18-10-14(21)4-9-19(18)22-12)11-20(26)23-15-5-7-16(8-6-15)24(3)13(2)25/h4-10,22H,11H2,1-3H3,(H,23,26)
InChIKeyDXDDXLGCFYPMOG-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.78
Rot. Bonds4

About N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (PubChem CID 86857821) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
PubChem CID86857821
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C20H20FN3O2/c1-12-17(18-10-14(21)4-9-19(18)22-12)11-20(26)23-15-5-7-16(8-6-15)24(3)13(2)25/h4-10,22H,11H2,1-3H3,(H,23,26)
InChIKeyDXDDXLGCFYPMOG-UHFFFAOYSA-N
XLogP3.78
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
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,N-dimethylacetamide
CID 31968622
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
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31908743
1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56507013
N-[4-[1-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46474815
N-[2-(3-ethynylanilino)-2-oxoethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide
CID 60550046

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (CID 86857821) is N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is CC(=O)N(C)c1ccc(NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is DXDDXLGCFYPMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-12-17(18-10-14(21)4-9-19(18)22-12)11-20(26)23-15-5-7-16(8-6-15)24(3)13(2)25/h4-10,22H,11H2,1-3H3,(H,23,26).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 353.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 86857821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).