(E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide

C16H12F3NO2 — CID 7769944

IUPAC(E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H12F3NO2/c1-22-11-5-2-10(3-6-11)4-9-14(21)20-13-8-7-12(17)15(18)16(13)19/h2-9H,1H3,(H,20,21)/b9-4+
InChIKeyRMDVNDYJRZSQHO-RUDMXATFSA-N
MW307.27 g/mol
LogP3.76
Rot. Bonds4

About (E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide (PubChem CID 7769944) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
PubChem CID7769944
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H12F3NO2/c1-22-11-5-2-10(3-6-11)4-9-14(21)20-13-8-7-12(17)15(18)16(13)19/h2-9H,1H3,(H,20,21)/b9-4+
InChIKeyRMDVNDYJRZSQHO-RUDMXATFSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4543242
(E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 7770255
(E)-N-(2-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 26522932
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3744074
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 897806
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 60576782
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
methyl 5-bromo-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19168701

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide (CID 7769944) is (E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The InChIKey is RMDVNDYJRZSQHO-RUDMXATFSA-N. The full InChI is InChI=1S/C16H12F3NO2/c1-22-11-5-2-10(3-6-11)4-9-14(21)20-13-8-7-12(17)15(18)16(13)19/h2-9H,1H3,(H,20,21)/b9-4+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide has a molecular weight of 307.27 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide is sourced from PubChem (CID 7769944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).