N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide

C15H9Cl2F3N2O2 — CID 137093574

IUPACN-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide
SMILESO=C(NN=Cc1ccc(Cl)c(Cl)c1O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H9Cl2F3N2O2/c16-11-6-5-8(13(23)12(11)17)7-21-22-14(24)9-3-1-2-4-10(9)15(18,19)20/h1-7,23H,(H,22,24)
InChIKeyLFHWWKIFCQPLHT-UHFFFAOYSA-N
MW377.15 g/mol
LogP4.48
Rot. Bonds3

About N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide

N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide (PubChem CID 137093574) has the molecular formula C15H9Cl2F3N2O2 and a molecular weight of 377.15 g/mol. Its IUPAC name is N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide
PubChem CID137093574
Molecular FormulaC15H9Cl2F3N2O2
Molecular Weight377.15 g/mol
Exact Mass376.00
IUPAC NameN-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide
SMILESO=C(NN=Cc1ccc(Cl)c(Cl)c1O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H9Cl2F3N2O2/c16-11-6-5-8(13(23)12(11)17)7-21-22-14(24)9-3-1-2-4-10(9)15(18,19)20/h1-7,23H,(H,22,24)
InChIKeyLFHWWKIFCQPLHT-UHFFFAOYSA-N
XLogP4.48
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.15
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide
CID 137103944
N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137095074
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4588973
N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 108808083
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
CID 3322799
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5404066
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 137127853
copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium)
CID 50910310
N-[(E)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136712147

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide (CID 137093574) is N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide is O=C(NN=Cc1ccc(Cl)c(Cl)c1O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide?
The InChIKey is LFHWWKIFCQPLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N2O2/c16-11-6-5-8(13(23)12(11)17)7-21-22-14(24)9-3-1-2-4-10(9)15(18,19)20/h1-7,23H,(H,22,24).
What are the key properties of N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide?
N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide has a molecular weight of 377.15 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 137093574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).