2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide

C17H17F3N4O — CID 111028356

IUPAC2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCc1cccc(N/C(N)=N/CC(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C17H17F3N4O/c1-2-10-4-3-5-11(8-10)23-17(21)22-9-14(25)24-13-7-6-12(18)15(19)16(13)20/h3-8H,2,9H2,1H3,(H,24,25)(H3,21,22,23)
InChIKeyZWWSPGMVGMZEBI-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.03
Rot. Bonds5

About 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 111028356) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID111028356
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Name2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCc1cccc(N/C(N)=N/CC(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C17H17F3N4O/c1-2-10-4-3-5-11(8-10)23-17(21)22-9-14(25)24-13-7-6-12(18)15(19)16(13)20/h3-8H,2,9H2,1H3,(H,24,25)(H3,21,22,23)
InChIKeyZWWSPGMVGMZEBI-UHFFFAOYSA-N
XLogP3.03
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(3-ethylanilino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089416
2-[[2-(3-ethylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197882
[2-(3-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197881
2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111028388
2-[[2-(3-ethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27104051
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090960
2-[[amino-(4-methoxyanilino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093852
2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093856
2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 110930350
2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 110930363
2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111721623
2-[[ethylamino-[2-(3-fluorophenyl)ethylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111395273

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 111028356) is 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide is CCc1cccc(N/C(N)=N/CC(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is ZWWSPGMVGMZEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c1-2-10-4-3-5-11(8-10)23-17(21)22-9-14(25)24-13-7-6-12(18)15(19)16(13)20/h3-8H,2,9H2,1H3,(H,24,25)(H3,21,22,23).
What are the key properties of 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 350.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 111028356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).