(E)-3-(2,3-dichlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enamide

C15H9Cl2F3N2O2 — CID 25467345

IUPAC(E)-3-(2,3-dichlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C15H9Cl2F3N2O2/c16-10-3-1-2-8(13(10)17)4-5-12(23)22-11-6-9(15(18,19)20)7-21-14(11)24/h1-7H,(H,21,24)(H,22,23)/b5-4+
InChIKeyOWGSHIPWAZKRSM-SNAWJCMRSA-N
MW377.15 g/mol
LogP4.35
Rot. Bonds3

About (E)-3-(2,3-dichlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enamide

(E)-3-(2,3-dichlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enamide (PubChem CID 25467345) has the molecular formula C15H9Cl2F3N2O2 and a molecular weight of 377.15 g/mol. Its IUPAC name is (E)-3-(2,3-dichlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dichlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enamide
PubChem CID25467345
Molecular FormulaC15H9Cl2F3N2O2
Molecular Weight377.15 g/mol
Exact Mass376.00
IUPAC Name(E)-3-(2,3-dichlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C15H9Cl2F3N2O2/c16-10-3-1-2-8(13(10)17)4-5-12(23)22-11-6-9(15(18,19)20)7-21-14(11)24/h1-7H,(H,21,24)(H,22,23)/b5-4+
InChIKeyOWGSHIPWAZKRSM-SNAWJCMRSA-N
XLogP4.35
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.15
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dichlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dichlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enamide (CID 25467345) is (E)-3-(2,3-dichlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dichlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dichlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1Cl)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of (E)-3-(2,3-dichlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enamide?
The InChIKey is OWGSHIPWAZKRSM-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H9Cl2F3N2O2/c16-10-3-1-2-8(13(10)17)4-5-12(23)22-11-6-9(15(18,19)20)7-21-14(11)24/h1-7H,(H,21,24)(H,22,23)/b5-4+.
What are the key properties of (E)-3-(2,3-dichlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enamide?
(E)-3-(2,3-dichlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enamide has a molecular weight of 377.15 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dichlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enamide is sourced from PubChem (CID 25467345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).