N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide

C20H19F3N4O — CID 135715866

IUPACN-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCCc1cccc2c(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)c[nH]c12
InChIInChI=1S/C20H19F3N4O/c1-2-13-5-3-8-17-14(10-25-19(13)17)11-26-27-18(28)12-24-16-7-4-6-15(9-16)20(21,22)23/h3-11,24-25H,2,12H2,1H3,(H,27,28)/b26-11+
InChIKeyUQFNNAIFFOUXEY-KBKYJPHKSA-N
MW388.39 g/mol
LogP4.31
Rot. Bonds6

About N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide

N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 135715866) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID135715866
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC NameN-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCCc1cccc2c(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)c[nH]c12
InChIInChI=1S/C20H19F3N4O/c1-2-13-5-3-8-17-14(10-25-19(13)17)11-26-27-18(28)12-24-16-7-4-6-15(9-16)20(21,22)23/h3-11,24-25H,2,12H2,1H3,(H,27,28)/b26-11+
InChIKeyUQFNNAIFFOUXEY-KBKYJPHKSA-N
XLogP4.31
TPSA69.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135852666
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135717023
N-[[4-(diethylamino)phenyl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 2353577
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 3474608
N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 7929512
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 136852090
N-[(E)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 6902080
N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135785166
N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 2353624
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135659384
4-bromo-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135846604
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135702130

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide (CID 135715866) is N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is CCc1cccc2c(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)c[nH]c12.
What is the InChIKey of N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is UQFNNAIFFOUXEY-KBKYJPHKSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-2-13-5-3-8-17-14(10-25-19(13)17)11-26-27-18(28)12-24-16-7-4-6-15(9-16)20(21,22)23/h3-11,24-25H,2,12H2,1H3,(H,27,28)/b26-11+.
What are the key properties of N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 388.39 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 135715866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).