(E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide

C19H17F3N2O2 — CID 108934709

IUPAC(E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2cccc(NC(=O)C(F)(F)F)c2)cc1
InChIInChI=1S/C19H17F3N2O2/c1-13-5-7-14(8-6-13)9-10-17(25)23-12-15-3-2-4-16(11-15)24-18(26)19(20,21)22/h2-11H,12H2,1H3,(H,23,25)(H,24,26)/b10-9+
InChIKeyKWCUJKVZBPXAKP-MDZDMXLPSA-N
MW362.35 g/mol
LogP3.83
Rot. Bonds5

About (E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide

(E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide (PubChem CID 108934709) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
PubChem CID108934709
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name(E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2cccc(NC(=O)C(F)(F)F)c2)cc1
InChIInChI=1S/C19H17F3N2O2/c1-13-5-7-14(8-6-13)9-10-17(25)23-12-15-3-2-4-16(11-15)24-18(26)19(20,21)22/h2-11H,12H2,1H3,(H,23,25)(H,24,26)/b10-9+
InChIKeyKWCUJKVZBPXAKP-MDZDMXLPSA-N
XLogP3.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108934715
N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
CID 108934568
N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 60536121
(E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 90244607
(E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 39572660
(E)-3-(4-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933380
3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
CID 108934541
N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 61167213
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]but-2-enamide
CID 108934722
4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide
CID 108934610
N-[3-[[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 60535568

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide (CID 108934709) is (E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide is Cc1ccc(/C=C/C(=O)NCc2cccc(NC(=O)C(F)(F)F)c2)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide?
The InChIKey is KWCUJKVZBPXAKP-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-13-5-7-14(8-6-13)9-10-17(25)23-12-15-3-2-4-16(11-15)24-18(26)19(20,21)22/h2-11H,12H2,1H3,(H,23,25)(H,24,26)/b10-9+.
What are the key properties of (E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide?
(E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide has a molecular weight of 362.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 108934709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).