N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide

C14H8ClF3N2O4 — CID 155662759

IUPACN-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C14H8ClF3N2O4/c15-10-6-8(20(23)24)2-3-11(10)19-13(22)9-5-7(14(16,17)18)1-4-12(9)21/h1-6,21H,(H,19,22)
InChIKeySOTKOWZGWPCOFJ-UHFFFAOYSA-N
MW360.68 g/mol
LogP4.22
Rot. Bonds3

About N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide

N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide (PubChem CID 155662759) has the molecular formula C14H8ClF3N2O4 and a molecular weight of 360.68 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide
PubChem CID155662759
Molecular FormulaC14H8ClF3N2O4
Molecular Weight360.68 g/mol
Exact Mass360.01
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C14H8ClF3N2O4/c15-10-6-8(20(23)24)2-3-11(10)19-13(22)9-5-7(14(16,17)18)1-4-12(9)21/h1-6,21H,(H,19,22)
InChIKeySOTKOWZGWPCOFJ-UHFFFAOYSA-N
XLogP4.22
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-chloro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxybenzamide
CID 71312570
2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide
CID 141401924
N-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide
CID 163370469
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide
CID 169122406
2-aminoethanol;5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
CID 14992
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4-dinitrobenzamide
CID 3111250
3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
CID 5193542
2-chloro-4-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2988054
3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
CID 25217158
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 3582375

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide (CID 155662759) is N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(C(F)(F)F)ccc1O.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide?
The InChIKey is SOTKOWZGWPCOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O4/c15-10-6-8(20(23)24)2-3-11(10)19-13(22)9-5-7(14(16,17)18)1-4-12(9)21/h1-6,21H,(H,19,22).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide?
N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide has a molecular weight of 360.68 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 155662759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).