N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[2-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide

C23H25FN3O2P — CID 89217536

IUPACN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[2-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide
SMILES[H]/N=C/C=C(\P)c1ccccc1OCC(=O)NCCc1c(C)[nH]c2c(F)ccc(C)c12
InChIInChI=1S/C23H25FN3O2P/c1-14-7-8-18(24)23-22(14)16(15(2)27-23)10-12-26-21(28)13-29-19-6-4-3-5-17(19)20(30)9-11-25/h3-9,11,25,27H,10,12-13,30H2,1-2H3,(H,26,28)/b20-9-,25-11+
InChIKeyUIJAIJSULGHAJL-VGECYSEQSA-N
MW425.44 g/mol
LogP4.53
Rot. Bonds8

About N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[2-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[2-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide (PubChem CID 89217536) has the molecular formula C23H25FN3O2P and a molecular weight of 425.44 g/mol. Its IUPAC name is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[2-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[2-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide
PubChem CID89217536
Molecular FormulaC23H25FN3O2P
Molecular Weight425.44 g/mol
Exact Mass425.17
IUPAC NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[2-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide
SMILES[H]/N=C/C=C(\P)c1ccccc1OCC(=O)NCCc1c(C)[nH]c2c(F)ccc(C)c12
InChIInChI=1S/C23H25FN3O2P/c1-14-7-8-18(24)23-22(14)16(15(2)27-23)10-12-26-21(28)13-29-19-6-4-3-5-17(19)20(30)9-11-25/h3-9,11,25,27H,10,12-13,30H2,1-2H3,(H,26,28)/b20-9-,25-11+
InChIKeyUIJAIJSULGHAJL-VGECYSEQSA-N
XLogP4.53
TPSA77.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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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-phenylphenoxy)acetamide
CID 25127944
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
(E)-3-(4-aminophenyl)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide
CID 89218836
4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 25173241
N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 91138796
3-[(E)-3-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-methyl-3-oxoprop-1-enyl]benzoic acid
CID 163689140
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[2-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide?
The IUPAC name of 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) is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[2-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide.
What is the SMILES notation for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[2-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide?
The canonical SMILES for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[2-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide is [H]/N=C/C=C(\P)c1ccccc1OCC(=O)NCCc1c(C)[nH]c2c(F)ccc(C)c12.
What is the InChIKey of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[2-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide?
The InChIKey is UIJAIJSULGHAJL-VGECYSEQSA-N. The full InChI is InChI=1S/C23H25FN3O2P/c1-14-7-8-18(24)23-22(14)16(15(2)27-23)10-12-26-21(28)13-29-19-6-4-3-5-17(19)20(30)9-11-25/h3-9,11,25,27H,10,12-13,30H2,1-2H3,(H,26,28)/b20-9-,25-11+.
What are the key properties of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[2-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide?
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[2-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide has a molecular weight of 425.44 g/mol, XLogP of 4.53, 8 rotatable bonds, 3 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-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide is sourced from PubChem (CID 89217536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).