2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(2,3,4-trifluorophenyl)acetamide

C19H20F3N3O2 — CID 135774407

IUPAC2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCN(CC)c1ccc(/C=N/CC(=O)Nc2ccc(F)c(F)c2F)c(O)c1
InChIInChI=1S/C19H20F3N3O2/c1-3-25(4-2)13-6-5-12(16(26)9-13)10-23-11-17(27)24-15-8-7-14(20)18(21)19(15)22/h5-10,26H,3-4,11H2,1-2H3,(H,24,27)/b23-10+
InChIKeyAKTREOMDFYXHPS-AUEPDCJTSA-N
MW379.38 g/mol
LogP3.71
Rot. Bonds7

About 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 135774407) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID135774407
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCN(CC)c1ccc(/C=N/CC(=O)Nc2ccc(F)c(F)c2F)c(O)c1
InChIInChI=1S/C19H20F3N3O2/c1-3-25(4-2)13-6-5-12(16(26)9-13)10-23-11-17(27)24-15-8-7-14(20)18(21)19(15)22/h5-10,26H,3-4,11H2,1-2H3,(H,24,27)/b23-10+
InChIKeyAKTREOMDFYXHPS-AUEPDCJTSA-N
XLogP3.71
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135710875
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide
CID 4626456
2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 2315436
4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 135716285
N-(2-chlorophenyl)-N'-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]butanediamide
CID 5241480
5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol
CID 136879981
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599
N-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]acetamide
CID 738975
4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
CID 3370614
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5101110
2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135620274

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 135774407) is 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(2,3,4-trifluorophenyl)acetamide is CCN(CC)c1ccc(/C=N/CC(=O)Nc2ccc(F)c(F)c2F)c(O)c1.
What is the InChIKey of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is AKTREOMDFYXHPS-AUEPDCJTSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-3-25(4-2)13-6-5-12(16(26)9-13)10-23-11-17(27)24-15-8-7-14(20)18(21)19(15)22/h5-10,26H,3-4,11H2,1-2H3,(H,24,27)/b23-10+.
What are the key properties of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 379.38 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 135774407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).