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

C20H22FN3O — CID 113209328

IUPACN-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C20H22FN3O/c1-3-24(4-2)17-8-6-16(7-9-17)23-20(25)11-14-13-22-19-10-5-15(21)12-18(14)19/h5-10,12-13,22H,3-4,11H2,1-2H3,(H,23,25)
InChIKeyRYPXRJTWHZOFSO-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.33
Rot. Bonds6

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

N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide (PubChem CID 113209328) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
PubChem CID113209328
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC NameN-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C20H22FN3O/c1-3-24(4-2)17-8-6-16(7-9-17)23-20(25)11-14-13-22-19-10-5-15(21)12-18(14)19/h5-10,12-13,22H,3-4,11H2,1-2H3,(H,23,25)
InChIKeyRYPXRJTWHZOFSO-UHFFFAOYSA-N
XLogP4.33
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
N-(3-chloro-4-fluorophenyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209314
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 111393023
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209461
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209477
2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 110700233
2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide
CID 110700282
N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 110833777
N-(4-acetylphenyl)-2-(5-methyl-1H-indol-3-yl)acetamide
CID 110861147

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide (CID 113209328) is N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide is CCN(CC)c1ccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
The InChIKey is RYPXRJTWHZOFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-3-24(4-2)17-8-6-16(7-9-17)23-20(25)11-14-13-22-19-10-5-15(21)12-18(14)19/h5-10,12-13,22H,3-4,11H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide has a molecular weight of 339.41 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 113209328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).