N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C24H24F3N5O2 — CID 135968272

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)c(O)c1
InChIInChI=1S/C24H24F3N5O2/c1-3-32(4-2)18-10-9-16(21(33)14-18)15-29-31-23(34)19-7-5-6-8-20(19)30-17-11-12-28-22(13-17)24(25,26)27/h5-15,33H,3-4H2,1-2H3,(H,28,30)(H,31,34)/b29-15+
InChIKeyZQDTXQOYYYIOBK-WKULSOCRSA-N
MW471.48 g/mol
LogP5.16
Rot. Bonds8

About N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 135968272) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID135968272
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)c(O)c1
InChIInChI=1S/C24H24F3N5O2/c1-3-32(4-2)18-10-9-16(21(33)14-18)15-29-31-23(34)19-7-5-6-8-20(19)30-17-11-12-28-22(13-17)24(25,26)27/h5-15,33H,3-4H2,1-2H3,(H,28,30)(H,31,34)/b29-15+
InChIKeyZQDTXQOYYYIOBK-WKULSOCRSA-N
XLogP5.16
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.48
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide
CID 847592
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3725484
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-nitrobenzamide
CID 136858298
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 139202887
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-carboxamide
CID 136803227
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 135781530
4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 135716285
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599
3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
CID 137122867
5-tert-butyl-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 135842393
2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135620274

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 135968272) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is ZQDTXQOYYYIOBK-WKULSOCRSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-3-32(4-2)18-10-9-16(21(33)14-18)15-29-31-23(34)19-7-5-6-8-20(19)30-17-11-12-28-22(13-17)24(25,26)27/h5-15,33H,3-4H2,1-2H3,(H,28,30)(H,31,34)/b29-15+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 471.48 g/mol, XLogP of 5.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 135968272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).