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

C24H24FN3O2 — CID 25128262

IUPACN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-pyrrol-1-ylphenoxy)acetamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)COc1ccccc1-n1cccc1
InChIInChI=1S/C24H24FN3O2/c1-16-9-10-19(25)24-23(16)18(17(2)27-24)11-12-26-22(29)15-30-21-8-4-3-7-20(21)28-13-5-6-14-28/h3-10,13-14,27H,11-12,15H2,1-2H3,(H,26,29)
InChIKeyPCFCTTVGZRVWPE-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.45
Rot. Bonds7

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

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-pyrrol-1-ylphenoxy)acetamide (PubChem CID 25128262) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-pyrrol-1-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-pyrrol-1-ylphenoxy)acetamide
PubChem CID25128262
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-pyrrol-1-ylphenoxy)acetamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)COc1ccccc1-n1cccc1
InChIInChI=1S/C24H24FN3O2/c1-16-9-10-19(25)24-23(16)18(17(2)27-24)11-12-26-22(29)15-30-21-8-4-3-7-20(21)28-13-5-6-14-28/h3-10,13-14,27H,11-12,15H2,1-2H3,(H,26,29)
InChIKeyPCFCTTVGZRVWPE-UHFFFAOYSA-N
XLogP4.45
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide
CID 25127944
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
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide
CID 25142295
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 25173160
4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 25173241
3-[(E)-3-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-methyl-3-oxoprop-1-enyl]benzoic acid
CID 163689140
(E)-3-(4-aminophenyl)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide
CID 89218836
N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide
CID 25142027
(E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide
CID 25160176

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-pyrrol-1-ylphenoxy)acetamide?
The IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-pyrrol-1-ylphenoxy)acetamide (CID 25128262) is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-pyrrol-1-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-pyrrol-1-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-pyrrol-1-ylphenoxy)acetamide is Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)COc1ccccc1-n1cccc1.
What is the InChIKey of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-pyrrol-1-ylphenoxy)acetamide?
The InChIKey is PCFCTTVGZRVWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-16-9-10-19(25)24-23(16)18(17(2)27-24)11-12-26-22(29)15-30-21-8-4-3-7-20(21)28-13-5-6-14-28/h3-10,13-14,27H,11-12,15H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-pyrrol-1-ylphenoxy)acetamide?
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-pyrrol-1-ylphenoxy)acetamide has a molecular weight of 405.47 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 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-pyrrol-1-ylphenoxy)acetamide is sourced from PubChem (CID 25128262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).