N-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

C22H26FN3O — CID 31956332

IUPACN-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCCN(CCCNC(=O)Cc1c(C)[nH]c2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C22H26FN3O/c1-3-26(18-8-5-4-6-9-18)13-7-12-24-22(27)15-19-16(2)25-21-11-10-17(23)14-20(19)21/h4-6,8-11,14,25H,3,7,12-13,15H2,1-2H3,(H,24,27)
InChIKeyOVYHFCCSGWSAFY-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.19
Rot. Bonds8

About N-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

N-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (PubChem CID 31956332) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
PubChem CID31956332
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC NameN-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCCN(CCCNC(=O)Cc1c(C)[nH]c2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C22H26FN3O/c1-3-26(18-8-5-4-6-9-18)13-7-12-24-22(27)15-19-16(2)25-21-11-10-17(23)14-20(19)21/h4-6,8-11,14,25H,3,7,12-13,15H2,1-2H3,(H,24,27)
InChIKeyOVYHFCCSGWSAFY-UHFFFAOYSA-N
XLogP4.19
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide
CID 31899230
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31856595
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32607717
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide
CID 113211908
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
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 113211872
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide
CID 113085879
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 113085913
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31960878
N-[2-(diethylamino)ethyl]-2-(5-ethyl-2-methyl-1H-indol-3-yl)acetamide
CID 25246473

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (CID 31956332) is N-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is CCN(CCCNC(=O)Cc1c(C)[nH]c2ccc(F)cc12)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is OVYHFCCSGWSAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-3-26(18-8-5-4-6-9-18)13-7-12-24-22(27)15-19-16(2)25-21-11-10-17(23)14-20(19)21/h4-6,8-11,14,25H,3,7,12-13,15H2,1-2H3,(H,24,27).
What are the key properties of N-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
N-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 31956332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).