2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide

C18H15F3N2O2 — CID 108574409

IUPAC2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
SMILESO=C(/C=C/c1ccccc1)NCCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H15F3N2O2/c19-14-8-7-13(16(20)17(14)21)18(25)23-11-10-22-15(24)9-6-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,24)(H,23,25)/b9-6+
InChIKeyNXKOIKDVSVIOFF-RMKNXTFCSA-N
MW348.32 g/mol
LogP2.66
Rot. Bonds6

About 2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide

2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide (PubChem CID 108574409) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
PubChem CID108574409
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
SMILESO=C(/C=C/c1ccccc1)NCCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H15F3N2O2/c19-14-8-7-13(16(20)17(14)21)18(25)23-11-10-22-15(24)9-6-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,24)(H,23,25)/b9-6+
InChIKeyNXKOIKDVSVIOFF-RMKNXTFCSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108574693
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide
CID 108573647
2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108539998
3,4,5-trihydroxy-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108571729
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108542423
3-chloro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108571411
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide
CID 108574860
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108542494

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide (CID 108574409) is 2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide is O=C(/C=C/c1ccccc1)NCCNC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide?
The InChIKey is NXKOIKDVSVIOFF-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-14-8-7-13(16(20)17(14)21)18(25)23-11-10-22-15(24)9-6-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,24)(H,23,25)/b9-6+.
What are the key properties of 2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide?
2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide has a molecular weight of 348.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide is sourced from PubChem (CID 108574409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).