4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide

C14H9ClF3N3O4 — CID 46467097

IUPAC4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9ClF3N3O4/c15-8-1-3-10(11(5-8)21(23)24)13(22)20-9-2-4-12(19-6-9)25-7-14(16,17)18/h1-6H,7H2,(H,20,22)
InChIKeyCHJSHKZMJRJONA-UHFFFAOYSA-N
MW375.69 g/mol
LogP3.84
Rot. Bonds5

About 4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide

4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide (PubChem CID 46467097) has the molecular formula C14H9ClF3N3O4 and a molecular weight of 375.69 g/mol. Its IUPAC name is 4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
PubChem CID46467097
Molecular FormulaC14H9ClF3N3O4
Molecular Weight375.69 g/mol
Exact Mass375.02
IUPAC Name4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9ClF3N3O4/c15-8-1-3-10(11(5-8)21(23)24)13(22)20-9-2-4-12(19-6-9)25-7-14(16,17)18/h1-6H,7H2,(H,20,22)
InChIKeyCHJSHKZMJRJONA-UHFFFAOYSA-N
XLogP3.84
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.69
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-2-nitrobenzamide
CID 34198576
4-chloro-N-[4-[[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]methyl]phenyl]-2-nitrobenzamide
CID 4162132
4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1105898
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55712190
4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide
CID 9405128
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide
CID 38327882
4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide
CID 1105902
4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide
CID 19173715
1-(4-fluoro-3-nitrophenyl)-5-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 55780290
5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684275
4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
CID 896015
4-chloro-N-(4-chloro-2-pyridinyl)-2-nitrobenzamide
CID 115626712

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
The IUPAC name of 4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide (CID 46467097) is 4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide is O=C(Nc1ccc(OCC(F)(F)F)nc1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
The InChIKey is CHJSHKZMJRJONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O4/c15-8-1-3-10(11(5-8)21(23)24)13(22)20-9-2-4-12(19-6-9)25-7-14(16,17)18/h1-6H,7H2,(H,20,22).
What are the key properties of 4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide has a molecular weight of 375.69 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide is sourced from PubChem (CID 46467097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).