N-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide

C18H17F3N2O4 — CID 137084062

IUPACN-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide
SMILESCOc1cc(O)c(C(C)=NNC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C18H17F3N2O4/c1-10(16-14(24)8-13(26-2)9-15(16)27-3)22-23-17(25)11-4-6-12(7-5-11)18(19,20)21/h4-9,24H,1-3H3,(H,23,25)
InChIKeyAECBYDYHKPBOPH-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.58
Rot. Bonds5

About N-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide

N-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide (PubChem CID 137084062) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is N-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide
PubChem CID137084062
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC NameN-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide
SMILESCOc1cc(O)c(C(C)=NNC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C18H17F3N2O4/c1-10(16-14(24)8-13(26-2)9-15(16)27-3)22-23-17(25)11-4-6-12(7-5-11)18(19,20)21/h4-9,24H,1-3H3,(H,23,25)
InChIKeyAECBYDYHKPBOPH-UHFFFAOYSA-N
XLogP3.58
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.58
H-Bond Donors ≤ 52
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

N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
CID 137072479
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 135738429
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 4005334
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide
CID 5076368
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359355
2,4-dimethoxy-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 873053
N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide
CID 6382408
3-iodo-4-methyl-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzamide
CID 164621332

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide (CID 137084062) is N-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide is COc1cc(O)c(C(C)=NNC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1.
What is the InChIKey of N-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide?
The InChIKey is AECBYDYHKPBOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c1-10(16-14(24)8-13(26-2)9-15(16)27-3)22-23-17(25)11-4-6-12(7-5-11)18(19,20)21/h4-9,24H,1-3H3,(H,23,25).
What are the key properties of N-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide?
N-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide has a molecular weight of 382.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 137084062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).