N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide

C15H11F3N2O2 — CID 166924916

IUPACN-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C15H11F3N2O2/c1-2-13(21)20-11-4-3-5-12(8-11)22-14-7-6-10(9-19-14)15(16,17)18/h2-9H,1H2,(H,20,21)
InChIKeyDCYCOUBNFWOMGM-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.02
Rot. Bonds4

About N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide

N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide (PubChem CID 166924916) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide
PubChem CID166924916
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC NameN-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C15H11F3N2O2/c1-2-13(21)20-11-4-3-5-12(8-11)22-14-7-6-10(9-19-14)15(16,17)18/h2-9H,1H2,(H,20,21)
InChIKeyDCYCOUBNFWOMGM-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide
CID 166924895
N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide
CID 100689832
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 13490922
5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid
CID 2814195
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
(2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 7004327
N-[3-[2-[4-[(dimethylamino)methyl]anilino]-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 163280650
N-[3-[5-methoxy-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 59174589
N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide
CID 134264823
1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 2814321
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-4-carboxamide
CID 71543956
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide (CID 166924916) is N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(Oc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide?
The InChIKey is DCYCOUBNFWOMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c1-2-13(21)20-11-4-3-5-12(8-11)22-14-7-6-10(9-19-14)15(16,17)18/h2-9H,1H2,(H,20,21).
What are the key properties of N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide?
N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide has a molecular weight of 308.26 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide is sourced from PubChem (CID 166924916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).