2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide

C20H23F3N4O2 — CID 111281709

IUPAC2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCN/C(=N\CC(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1ccccc1OC
InChIInChI=1S/C20H23F3N4O2/c1-4-24-20(27(2)12-13-7-5-6-8-16(13)29-3)25-11-17(28)26-15-10-9-14(21)18(22)19(15)23/h5-10H,4,11-12H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyRFTYSECMMXFMPX-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.15
Rot. Bonds7

About 2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 111281709) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID111281709
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCN/C(=N\CC(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1ccccc1OC
InChIInChI=1S/C20H23F3N4O2/c1-4-24-20(27(2)12-13-7-5-6-8-16(13)29-3)25-11-17(28)26-15-10-9-14(21)18(22)19(15)23/h5-10H,4,11-12H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyRFTYSECMMXFMPX-UHFFFAOYSA-N
XLogP3.15
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[ethylamino-[(3-fluorophenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111285553
2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111282364
2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111282751
2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111009891
N-cyclopropyl-2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]acetamide;hydroiodide
CID 111282550
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide
CID 86910650
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113163015
2-[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111133503
3-ethyl-1-[(2-methoxyphenyl)methyl]-1-methyl-2-propylguanidine;hydroiodide
CID 111282326
3-ethyl-1-[(2-methoxyphenyl)methyl]-1-methyl-2-(2-methylsulfanylethyl)guanidine
CID 111282721
N-ethyl-4-[[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]methyl]benzamide
CID 111282431
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113164628

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 111281709) is 2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide is CCN/C(=N\CC(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1ccccc1OC.
What is the InChIKey of 2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is RFTYSECMMXFMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-4-24-20(27(2)12-13-7-5-6-8-16(13)29-3)25-11-17(28)26-15-10-9-14(21)18(22)19(15)23/h5-10H,4,11-12H2,1-3H3,(H,24,25)(H,26,28).
What are the key properties of 2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 408.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 111281709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).