(E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide

C17H12F4N2O2 — CID 108933370

IUPAC(E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C17H12F4N2O2/c18-14-7-2-1-4-11(14)8-9-15(24)22-12-5-3-6-13(10-12)23-16(25)17(19,20)21/h1-10H,(H,22,24)(H,23,25)/b9-8+
InChIKeyJNSABPDUOMDTEL-CMDGGOBGSA-N
MW352.29 g/mol
LogP3.98
Rot. Bonds4

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

(E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide (PubChem CID 108933370) has the molecular formula C17H12F4N2O2 and a molecular weight of 352.29 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
PubChem CID108933370
Molecular FormulaC17H12F4N2O2
Molecular Weight352.29 g/mol
Exact Mass352.08
IUPAC Name(E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C17H12F4N2O2/c18-14-7-2-1-4-11(14)8-9-15(24)22-12-5-3-6-13(10-12)23-16(25)17(19,20)21/h1-10H,(H,22,24)(H,23,25)/b9-8+
InChIKeyJNSABPDUOMDTEL-CMDGGOBGSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 53.98
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-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 8761062
(E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 8713833
(E)-3-(4-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933380
methyl 3-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]benzoate
CID 26240448
(E)-3-(2-fluorophenyl)-N-naphthalen-2-ylprop-2-enamide
CID 8762219
N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978
(E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide
CID 31916885
(E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 26289833
(E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 7914871
(E)-3-(2-chloro-6-fluorophenyl)-N-[3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 6265107
(E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide
CID 7925007
(E)-3-(2-fluorophenyl)prop-2-enehydrazide
CID 43236608

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide (CID 108933370) is (E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide is O=C(/C=C/c1ccccc1F)Nc1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide?
The InChIKey is JNSABPDUOMDTEL-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H12F4N2O2/c18-14-7-2-1-4-11(14)8-9-15(24)22-12-5-3-6-13(10-12)23-16(25)17(19,20)21/h1-10H,(H,22,24)(H,23,25)/b9-8+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide?
(E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide has a molecular weight of 352.29 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 108933370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).