N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide

C26H25FN2O2 — CID 25127944

IUPACN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C26H25FN2O2/c1-17-12-13-22(27)26-25(17)20(18(2)29-26)14-15-28-24(30)16-31-23-11-7-6-10-21(23)19-8-4-3-5-9-19/h3-13,29H,14-16H2,1-2H3,(H,28,30)
InChIKeyDJNADEZXEUKTNV-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.33
Rot. Bonds7

About N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide (PubChem CID 25127944) has the molecular formula C26H25FN2O2 and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide
PubChem CID25127944
Molecular FormulaC26H25FN2O2
Molecular Weight416.50 g/mol
Exact Mass416.19
IUPAC NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C26H25FN2O2/c1-17-12-13-22(27)26-25(17)20(18(2)29-26)14-15-28-24(30)16-31-23-11-7-6-10-21(23)19-8-4-3-5-9-19/h3-13,29H,14-16H2,1-2H3,(H,28,30)
InChIKeyDJNADEZXEUKTNV-UHFFFAOYSA-N
XLogP5.33
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-pyrrol-1-ylphenoxy)acetamide
CID 25128262
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[2-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide
CID 89217536
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide
CID 25128264
2-(3-chloro-5-fluorophenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 25125315
[3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate
CID 25125659
2-(2-phenylphenoxy)-N-propylacetamide
CID 112788813
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
N-[2-[[2-(2-phenylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 51153241
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8920134
4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 25173241
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide (CID 25127944) is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide is Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide?
The InChIKey is DJNADEZXEUKTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O2/c1-17-12-13-22(27)26-25(17)20(18(2)29-26)14-15-28-24(30)16-31-23-11-7-6-10-21(23)19-8-4-3-5-9-19/h3-13,29H,14-16H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide?
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide has a molecular weight of 416.50 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 25127944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).