N-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

C15H10ClF3N2O — CID 59811399

IUPACN-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESO=C(Nc1ccnc(Cl)c1)c1ccc(/C=C/C(F)(F)F)cc1
InChIInChI=1S/C15H10ClF3N2O/c16-13-9-12(6-8-20-13)21-14(22)11-3-1-10(2-4-11)5-7-15(17,18)19/h1-9H,(H,20,21,22)/b7-5+
InChIKeyFKCRMZBAVLWOIJ-FNORWQNLSA-N
MW326.71 g/mol
LogP4.56
Rot. Bonds3

About N-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

N-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (PubChem CID 59811399) has the molecular formula C15H10ClF3N2O and a molecular weight of 326.71 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
PubChem CID59811399
Molecular FormulaC15H10ClF3N2O
Molecular Weight326.71 g/mol
Exact Mass326.04
IUPAC NameN-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESO=C(Nc1ccnc(Cl)c1)c1ccc(/C=C/C(F)(F)F)cc1
InChIInChI=1S/C15H10ClF3N2O/c16-13-9-12(6-8-20-13)21-14(22)11-3-1-10(2-4-11)5-7-15(17,18)19/h1-9H,(H,20,21,22)/b7-5+
InChIKeyFKCRMZBAVLWOIJ-FNORWQNLSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 72581666
N-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 11855182
3-bromo-N-(2-chloro-4-pyridinyl)-4-fluorobenzamide
CID 107952988
3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide
CID 107999613
N-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 59811456
4-butoxy-N-(2-chloro-4-pyridinyl)benzamide
CID 103606840
N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102712636
N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 59811281
N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide
CID 140508287
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide
CID 134119182

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (CID 59811399) is N-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is O=C(Nc1ccnc(Cl)c1)c1ccc(/C=C/C(F)(F)F)cc1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The InChIKey is FKCRMZBAVLWOIJ-FNORWQNLSA-N. The full InChI is InChI=1S/C15H10ClF3N2O/c16-13-9-12(6-8-20-13)21-14(22)11-3-1-10(2-4-11)5-7-15(17,18)19/h1-9H,(H,20,21,22)/b7-5+.
What are the key properties of N-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
N-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide has a molecular weight of 326.71 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is sourced from PubChem (CID 59811399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).