(E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide

C17H12ClF4NO2 — CID 98674038

IUPAC(E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C17H12ClF4NO2/c18-12-6-7-15(25-10-17(20,21)22)14(9-12)23-16(24)8-5-11-3-1-2-4-13(11)19/h1-9H,10H2,(H,23,24)/b8-5+
InChIKeyPRWXHMOSQLUCNG-VMPITWQZSA-N
MW373.73 g/mol
LogP5.07
Rot. Bonds5

About (E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide

(E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 98674038) has the molecular formula C17H12ClF4NO2 and a molecular weight of 373.73 g/mol. Its IUPAC name is (E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide
PubChem CID98674038
Molecular FormulaC17H12ClF4NO2
Molecular Weight373.73 g/mol
Exact Mass373.05
IUPAC Name(E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C17H12ClF4NO2/c18-12-6-7-15(25-10-17(20,21)22)14(9-12)23-16(24)8-5-11-3-1-2-4-13(11)19/h1-9H,10H2,(H,23,24)/b8-5+
InChIKeyPRWXHMOSQLUCNG-VMPITWQZSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.73
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
CID 134027237
(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide
CID 6017178
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
(E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 9098501
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methylphenyl)acetamide
CID 30473976
2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134027239
4-chloro-2-[3-[2-(trifluoromethyl)phenyl]prop-2-enoylamino]benzoic acid
CID 54441739
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
CID 55520956
(E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 17371694
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide
CID 30473926
(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919
3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700917

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide (CID 98674038) is (E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1F)Nc1cc(Cl)ccc1OCC(F)(F)F.
What is the InChIKey of (E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is PRWXHMOSQLUCNG-VMPITWQZSA-N. The full InChI is InChI=1S/C17H12ClF4NO2/c18-12-6-7-15(25-10-17(20,21)22)14(9-12)23-16(24)8-5-11-3-1-2-4-13(11)19/h1-9H,10H2,(H,23,24)/b8-5+.
What are the key properties of (E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide?
(E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 373.73 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 98674038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).