N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide

C16H18F3N3O2 — CID 26871482

IUPACN-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide
SMILESC/C(=N\NC(=O)C1CCCC1)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H18F3N3O2/c1-10(21-22-14(23)12-4-2-3-5-12)11-6-8-13(9-7-11)20-15(24)16(17,18)19/h6-9,12H,2-5H2,1H3,(H,20,24)(H,22,23)/b21-10+
InChIKeyQXFVQXRFCWCTQE-UFFVCSGVSA-N
MW341.33 g/mol
LogP3.22
Rot. Bonds4

About N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide

N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide (PubChem CID 26871482) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide
PubChem CID26871482
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC NameN-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide
SMILESC/C(=N\NC(=O)C1CCCC1)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H18F3N3O2/c1-10(21-22-14(23)12-4-2-3-5-12)11-6-8-13(9-7-11)20-15(24)16(17,18)19/h6-9,12H,2-5H2,1H3,(H,20,24)(H,22,23)/b21-10+
InChIKeyQXFVQXRFCWCTQE-UFFVCSGVSA-N
XLogP3.22
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide (CID 26871482) is N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide is C/C(=N\NC(=O)C1CCCC1)c1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide?
The InChIKey is QXFVQXRFCWCTQE-UFFVCSGVSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-10(21-22-14(23)12-4-2-3-5-12)11-6-8-13(9-7-11)20-15(24)16(17,18)19/h6-9,12H,2-5H2,1H3,(H,20,24)(H,22,23)/b21-10+.
What are the key properties of N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide?
N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide has a molecular weight of 341.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 26871482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).