N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide

C17H12F6N2O — CID 129051180

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(Cc1cccnc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H12F6N2O/c1-2-15(26)25(10-11-4-3-5-24-9-11)14-7-12(16(18,19)20)6-13(8-14)17(21,22)23/h2-9H,1,10H2
InChIKeyBOOHBGPSOIVVJL-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.84
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide

N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide (PubChem CID 129051180) has the molecular formula C17H12F6N2O and a molecular weight of 374.28 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
PubChem CID129051180
Molecular FormulaC17H12F6N2O
Molecular Weight374.28 g/mol
Exact Mass374.09
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(Cc1cccnc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H12F6N2O/c1-2-15(26)25(10-11-4-3-5-24-9-11)14-7-12(16(18,19)20)6-13(8-14)17(21,22)23/h2-9H,1,10H2
InChIKeyBOOHBGPSOIVVJL-UHFFFAOYSA-N
XLogP4.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-phenoxy-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 129051165
2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53416837
N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 166414550
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 42796251
N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 43967045
(E)-N-tert-butyl-N-(pyridin-3-ylmethyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 75510679
N-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 126809277
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86912439
pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid
CID 66996492
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 43967052
N-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360894
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055335

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide (CID 129051180) is N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide is C=CC(=O)N(Cc1cccnc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
The InChIKey is BOOHBGPSOIVVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2O/c1-2-15(26)25(10-11-4-3-5-24-9-11)14-7-12(16(18,19)20)6-13(8-14)17(21,22)23/h2-9H,1,10H2.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide has a molecular weight of 374.28 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 129051180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).