N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide

C15H11ClF3N3O4 — CID 78487298

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide
SMILESCC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C15H11ClF3N3O4/c1-8(21-7-10(22(25)26)3-5-13(21)23)14(24)20-12-6-9(15(17,18)19)2-4-11(12)16/h2-8H,1H3,(H,20,24)
InChIKeyCSZLNJGILJUAQO-UHFFFAOYSA-N
MW389.72 g/mol
LogP3.63
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide (PubChem CID 78487298) has the molecular formula C15H11ClF3N3O4 and a molecular weight of 389.72 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide
PubChem CID78487298
Molecular FormulaC15H11ClF3N3O4
Molecular Weight389.72 g/mol
Exact Mass389.04
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide
SMILESCC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C15H11ClF3N3O4/c1-8(21-7-10(22(25)26)3-5-13(21)23)14(24)20-12-6-9(15(17,18)19)2-4-11(12)16/h2-8H,1H3,(H,20,24)
InChIKeyCSZLNJGILJUAQO-UHFFFAOYSA-N
XLogP3.63
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.72
LogP ≤ 53.63
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

(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-nitrophenyl)-3-oxopropanamide
CID 92508875
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 3582375
2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 84571219
(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2396545
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 841219
(2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide
CID 7467783
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4-dinitrobenzamide
CID 3111250
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(1R,2S,6S,7R,8R,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanamide
CID 124715880
[(2R)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 5-nitrofuran-2-carboxylate
CID 7967501
2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 24690259
(2R)-N-(3-acetylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide
CID 7467767
[(2S)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 4,5-dimethoxy-2-nitrobenzoate
CID 2457463

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide (CID 78487298) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide is CC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1cc([N+](=O)[O-])ccc1=O.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide?
The InChIKey is CSZLNJGILJUAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O4/c1-8(21-7-10(22(25)26)3-5-13(21)23)14(24)20-12-6-9(15(17,18)19)2-4-11(12)16/h2-8H,1H3,(H,20,24).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide has a molecular weight of 389.72 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 78487298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).