N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide

C21H17F3N4O2 — CID 135968237

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
SMILESO=C(Cc1ccc(Nc2ccnc(C(F)(F)F)c2)cc1)N/N=C/c1ccccc1O
InChIInChI=1S/C21H17F3N4O2/c22-21(23,24)19-12-17(9-10-25-19)27-16-7-5-14(6-8-16)11-20(30)28-26-13-15-3-1-2-4-18(15)29/h1-10,12-13,29H,11H2,(H,25,27)(H,28,30)/b26-13+
InChIKeyUUNVXQMRDHKZLC-LGJNPRDNSA-N
MW414.39 g/mol
LogP4.24
Rot. Bonds6

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide (PubChem CID 135968237) has the molecular formula C21H17F3N4O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
PubChem CID135968237
Molecular FormulaC21H17F3N4O2
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
SMILESO=C(Cc1ccc(Nc2ccnc(C(F)(F)F)c2)cc1)N/N=C/c1ccccc1O
InChIInChI=1S/C21H17F3N4O2/c22-21(23,24)19-12-17(9-10-25-19)27-16-7-5-14(6-8-16)11-20(30)28-26-13-15-3-1-2-4-18(15)29/h1-10,12-13,29H,11H2,(H,25,27)(H,28,30)/b26-13+
InChIKeyUUNVXQMRDHKZLC-LGJNPRDNSA-N
XLogP4.24
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-(4-hydroxyphenyl)-N'-[(1E)-1-(pyridin-3-yl)ethylidene]acetohydrazide
CID 25237312
2-hydroxy-N'-[(1Z)-pyridin-2-ylmethylene]benzohydrazide
CID 5370915
3-oxo-3-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-N-(pyridin-3-ylmethyl)propanamide
CID 135452794
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968233
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
CID 135968238
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968269
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968272
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968273
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968274
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968275
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
CID 135968280
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 136239512

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide (CID 135968237) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide is O=C(Cc1ccc(Nc2ccnc(C(F)(F)F)c2)cc1)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide?
The InChIKey is UUNVXQMRDHKZLC-LGJNPRDNSA-N. The full InChI is InChI=1S/C21H17F3N4O2/c22-21(23,24)19-12-17(9-10-25-19)27-16-7-5-14(6-8-16)11-20(30)28-26-13-15-3-1-2-4-18(15)29/h1-10,12-13,29H,11H2,(H,25,27)(H,28,30)/b26-13+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide has a molecular weight of 414.39 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide is sourced from PubChem (CID 135968237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).