(E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide

C18H16F3NO3 — CID 7962122

IUPAC(E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H16F3NO3/c1-24-15-8-9-16(25-2)12(11-15)3-10-17(23)22-14-6-4-13(5-7-14)18(19,20)21/h3-11H,1-2H3,(H,22,23)/b10-3+
InChIKeyFNKORRKQRNRWOG-XCVCLJGOSA-N
MW351.32 g/mol
LogP4.37
Rot. Bonds5

About (E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide

(E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 7962122) has the molecular formula C18H16F3NO3 and a molecular weight of 351.32 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID7962122
Molecular FormulaC18H16F3NO3
Molecular Weight351.32 g/mol
Exact Mass351.11
IUPAC Name(E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H16F3NO3/c1-24-15-8-9-16(25-2)12(11-15)3-10-17(23)22-14-6-4-13(5-7-14)18(19,20)21/h3-11H,1-2H3,(H,22,23)/b10-3+
InChIKeyFNKORRKQRNRWOG-XCVCLJGOSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 54.37
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-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 5182616
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(methylcarbamoylamino)phenyl]prop-2-enamide
CID 46518249
(E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 126415125
(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 2590710
(E)-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 2683290
(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684281
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
(E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7935696
(E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 1371675
(E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8840134
(E)-3-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 126241968
(E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 2444640

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 7962122) is (E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide is COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of (E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is FNKORRKQRNRWOG-XCVCLJGOSA-N. The full InChI is InChI=1S/C18H16F3NO3/c1-24-15-8-9-16(25-2)12(11-15)3-10-17(23)22-14-6-4-13(5-7-14)18(19,20)21/h3-11H,1-2H3,(H,22,23)/b10-3+.
What are the key properties of (E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 351.32 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 7962122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).