4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide

C23H20F3N3O2 — CID 174709439

IUPAC4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.NC(=O)C=Cc1cccnc1
InChIInChI=1S/C15H12F3NO.C8H8N2O/c1-10-5-7-11(8-6-10)14(20)19-13-4-2-3-12(9-13)15(16,17)18;9-8(11)4-3-7-2-1-5-10-6-7/h2-9H,1H3,(H,19,20);1-6H,(H2,9,11)
InChIKeySRJQVNLSUKKMCP-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.85
Rot. Bonds4

About 4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide

4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide (PubChem CID 174709439) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide
PubChem CID174709439
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.NC(=O)C=Cc1cccnc1
InChIInChI=1S/C15H12F3NO.C8H8N2O/c1-10-5-7-11(8-6-10)14(20)19-13-4-2-3-12(9-13)15(16,17)18;9-8(11)4-3-7-2-1-5-10-6-7/h2-9H,1H3,(H,19,20);1-6H,(H2,9,11)
InChIKeySRJQVNLSUKKMCP-UHFFFAOYSA-N
XLogP4.85
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide
CID 174642582
N-[4-methyl-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 88558688
N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109241871
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16650952
4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
CID 27654804
4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174184894
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234
N-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109266873
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
methanethiol;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465005
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide?
The IUPAC name of 4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide (CID 174709439) is 4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for 4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for 4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.NC(=O)C=Cc1cccnc1.
What is the InChIKey of 4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide?
The InChIKey is SRJQVNLSUKKMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO.C8H8N2O/c1-10-5-7-11(8-6-10)14(20)19-13-4-2-3-12(9-13)15(16,17)18;9-8(11)4-3-7-2-1-5-10-6-7/h2-9H,1H3,(H,19,20);1-6H,(H2,9,11).
What are the key properties of 4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide?
4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide has a molecular weight of 427.43 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 174709439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).