2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide

C9H7Cl3N2O2 — CID 70615404

IUPAC2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide
SMILESO=C(NN=CC(Cl)(Cl)Cl)c1ccccc1O
InChIInChI=1S/C9H7Cl3N2O2/c10-9(11,12)5-13-14-8(16)6-3-1-2-4-7(6)15/h1-5,15H,(H,14,16)
InChIKeyQHMSTMXARBTADA-UHFFFAOYSA-N
MW281.53 g/mol
LogP2.48
Rot. Bonds2

About 2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide

2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide (PubChem CID 70615404) has the molecular formula C9H7Cl3N2O2 and a molecular weight of 281.53 g/mol. Its IUPAC name is 2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide
PubChem CID70615404
Molecular FormulaC9H7Cl3N2O2
Molecular Weight281.53 g/mol
Exact Mass279.96
IUPAC Name2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide
SMILESO=C(NN=CC(Cl)(Cl)Cl)c1ccccc1O
InChIInChI=1S/C9H7Cl3N2O2/c10-9(11,12)5-13-14-8(16)6-3-1-2-4-7(6)15/h1-5,15H,(H,14,16)
InChIKeyQHMSTMXARBTADA-UHFFFAOYSA-N
XLogP2.48
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.53
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-(4-ethylphenyl)-2,2-dimethylpropylidene]amino]-2-hydroxybenzamide
CID 3995481
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868
2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 4683367
N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid
CID 57397723
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide
CID 4587352
N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide
CID 793892
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
2-hydroxy-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5392167
N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137095074
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
2-hydroxy-N-(pentylideneamino)benzamide
CID 3686688

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide?
The IUPAC name of 2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide (CID 70615404) is 2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide.
What is the SMILES notation for 2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide?
The canonical SMILES for 2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide is O=C(NN=CC(Cl)(Cl)Cl)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide?
The InChIKey is QHMSTMXARBTADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3N2O2/c10-9(11,12)5-13-14-8(16)6-3-1-2-4-7(6)15/h1-5,15H,(H,14,16).
What are the key properties of 2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide?
2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide has a molecular weight of 281.53 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide is sourced from PubChem (CID 70615404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).