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

C19H17F3N2O3 — CID 108933915

IUPAC(E)-3-(2-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O3/c1-27-16-5-3-2-4-14(16)8-11-17(25)24-15-9-6-13(7-10-15)12-23-18(26)19(20,21)22/h2-11H,12H2,1H3,(H,23,26)(H,24,25)/b11-8+
InChIKeySEPMYSVMYDTILV-DHZHZOJOSA-N
MW378.35 g/mol
LogP3.53
Rot. Bonds6

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

(E)-3-(2-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide (PubChem CID 108933915) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
PubChem CID108933915
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name(E)-3-(2-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O3/c1-27-16-5-3-2-4-14(16)8-11-17(25)24-15-9-6-13(7-10-15)12-23-18(26)19(20,21)22/h2-11H,12H2,1H3,(H,23,26)(H,24,25)/b11-8+
InChIKeySEPMYSVMYDTILV-DHZHZOJOSA-N
XLogP3.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-methoxyphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933916
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4797449
[3-[[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928486
3-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]propanoic acid
CID 10568068
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 1308180
(E)-3-(2-bromophenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933922
4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide
CID 17204984
(E)-3-(3-fluorophenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933927
tert-butyl N-[3-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]anilino]-3-oxopropyl]carbamate
CID 108919953
4-tert-butyl-N-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17234965
ethyl 4-[3-(2-methoxyphenyl)prop-2-enoylamino]benzoate
CID 887040

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide (CID 108933915) is (E)-3-(2-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide is COc1ccccc1/C=C/C(=O)Nc1ccc(CNC(=O)C(F)(F)F)cc1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide?
The InChIKey is SEPMYSVMYDTILV-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-27-16-5-3-2-4-14(16)8-11-17(25)24-15-9-6-13(7-10-15)12-23-18(26)19(20,21)22/h2-11H,12H2,1H3,(H,23,26)(H,24,25)/b11-8+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide has a molecular weight of 378.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 108933915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).