2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-methoxy-2-nitrophenyl)acetamide

C15H11ClF3N3O5 — CID 3667178

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClF3N3O5/c1-27-9-2-3-11(12(5-9)22(25)26)20-13(23)7-21-6-8(15(17,18)19)4-10(16)14(21)24/h2-6H,7H2,1H3,(H,20,23)
InChIKeyAIBYHEFHGDBHFV-UHFFFAOYSA-N
MW405.72 g/mol
LogP3.08
Rot. Bonds5

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-methoxy-2-nitrophenyl)acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 3667178) has the molecular formula C15H11ClF3N3O5 and a molecular weight of 405.72 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID3667178
Molecular FormulaC15H11ClF3N3O5
Molecular Weight405.72 g/mol
Exact Mass405.03
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClF3N3O5/c1-27-9-2-3-11(12(5-9)22(25)26)20-13(23)7-21-6-8(15(17,18)19)4-10(16)14(21)24/h2-6H,7H2,1H3,(H,20,23)
InChIKeyAIBYHEFHGDBHFV-UHFFFAOYSA-N
XLogP3.08
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.72
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(5-chloro-2-methoxyphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2555513
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437
N-(4-bromo-2-chlorophenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 24566337
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5001004
N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915263
2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 115569447
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-iodophenyl)acetamide
CID 16574639
N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2587466
N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7183544
N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522119
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-naphthalen-1-ylacetamide
CID 2097457
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19527030

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-methoxy-2-nitrophenyl)acetamide (CID 3667178) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is AIBYHEFHGDBHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O5/c1-27-9-2-3-11(12(5-9)22(25)26)20-13(23)7-21-6-8(15(17,18)19)4-10(16)14(21)24/h2-6H,7H2,1H3,(H,20,23).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-methoxy-2-nitrophenyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 405.72 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 3667178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).