5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide

C14H8ClF3N2O3 — CID 2684275

IUPAC5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H8ClF3N2O3/c15-9-3-6-12(20(22)23)11(7-9)13(21)19-10-4-1-8(2-5-10)14(16,17)18/h1-7H,(H,19,21)
InChIKeyAVMOEWMONXGWJB-UHFFFAOYSA-N
MW344.68 g/mol
LogP4.52
Rot. Bonds3

About 5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide

5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 2684275) has the molecular formula C14H8ClF3N2O3 and a molecular weight of 344.68 g/mol. Its IUPAC name is 5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID2684275
Molecular FormulaC14H8ClF3N2O3
Molecular Weight344.68 g/mol
Exact Mass344.02
IUPAC Name5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H8ClF3N2O3/c15-9-3-6-12(20(22)23)11(7-9)13(21)19-10-4-1-8(2-5-10)14(16,17)18/h1-7H,(H,19,21)
InChIKeyAVMOEWMONXGWJB-UHFFFAOYSA-N
XLogP4.52
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide
CID 4605334
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-2-nitrobenzamide
CID 34198576
2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 170761389
2-chloro-4-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2988054
4-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 956247
4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1105898
(Z)-2-(5-chloro-2-nitrophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 5370433
N-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(trifluoromethyl)benzamide
CID 154198896
methyl N-[4-[(5-chloro-2-nitrobenzoyl)amino]phenyl]-N-methylcarbamate
CID 60578817

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide (CID 2684275) is 5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is AVMOEWMONXGWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O3/c15-9-3-6-12(20(22)23)11(7-9)13(21)19-10-4-1-8(2-5-10)14(16,17)18/h1-7H,(H,19,21).
What are the key properties of 5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide?
5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 344.68 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2684275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).