N-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(trifluoromethyl)benzamide

C14H8ClF3N2O4 — CID 154198896

IUPACN-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])c(C(F)(F)F)cc1O
InChIInChI=1S/C14H8ClF3N2O4/c15-7-1-3-8(4-2-7)19-13(22)9-5-11(20(23)24)10(6-12(9)21)14(16,17)18/h1-6,21H,(H,19,22)
InChIKeyNIKFLXUQZGTISJ-UHFFFAOYSA-N
MW360.68 g/mol
LogP4.22
Rot. Bonds3

About N-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(trifluoromethyl)benzamide

N-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(trifluoromethyl)benzamide (PubChem CID 154198896) has the molecular formula C14H8ClF3N2O4 and a molecular weight of 360.68 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(trifluoromethyl)benzamide
PubChem CID154198896
Molecular FormulaC14H8ClF3N2O4
Molecular Weight360.68 g/mol
Exact Mass360.01
IUPAC NameN-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])c(C(F)(F)F)cc1O
InChIInChI=1S/C14H8ClF3N2O4/c15-7-1-3-8(4-2-7)19-13(22)9-5-11(20(23)24)10(6-12(9)21)14(16,17)18/h1-6,21H,(H,19,22)
InChIKeyNIKFLXUQZGTISJ-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-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684275
N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-2-nitrobenzamide
CID 34198576
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
3,4-difluoro-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide
CID 112807209
N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-nitrobenzamide
CID 22245107
4,5-dichloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 134151897
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1105898
2-chloro-5-nitro-4-(trifluoromethyl)benzoic acid
CID 178201491
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 46467097
4-chloro-N-[4-[[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]methyl]phenyl]-2-nitrobenzamide
CID 4162132

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(trifluoromethyl)benzamide (CID 154198896) is N-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])c(C(F)(F)F)cc1O.
What is the InChIKey of N-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(trifluoromethyl)benzamide?
The InChIKey is NIKFLXUQZGTISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O4/c15-7-1-3-8(4-2-7)19-13(22)9-5-11(20(23)24)10(6-12(9)21)14(16,17)18/h1-6,21H,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(trifluoromethyl)benzamide?
N-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(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-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 154198896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).