4-amino-N-cyclohexyl-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-iminopent-3-enamide

C18H21F4N3O — CID 152916365

IUPAC4-amino-N-cyclohexyl-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-iminopent-3-enamide
SMILES[H]/N=C(\C=C(N)C(F)(F)F)C(=O)N(Cc1ccccc1F)C1CCCCC1
InChIInChI=1S/C18H21F4N3O/c19-14-9-5-4-6-12(14)11-25(13-7-2-1-3-8-13)17(26)15(23)10-16(24)18(20,21)22/h4-6,9-10,13,23H,1-3,7-8,11,24H2/b16-10?,23-15+
InChIKeyDEPJNUFYWCWEPJ-GQWABCIYSA-N
MW371.38 g/mol
LogP3.91
Rot. Bonds5

About 4-amino-N-cyclohexyl-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-iminopent-3-enamide

4-amino-N-cyclohexyl-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-iminopent-3-enamide (PubChem CID 152916365) has the molecular formula C18H21F4N3O and a molecular weight of 371.38 g/mol. Its IUPAC name is 4-amino-N-cyclohexyl-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-iminopent-3-enamide.

Molecular Properties

Compound Name4-amino-N-cyclohexyl-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-iminopent-3-enamide
PubChem CID152916365
Molecular FormulaC18H21F4N3O
Molecular Weight371.38 g/mol
Exact Mass371.16
IUPAC Name4-amino-N-cyclohexyl-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-iminopent-3-enamide
SMILES[H]/N=C(\C=C(N)C(F)(F)F)C(=O)N(Cc1ccccc1F)C1CCCCC1
InChIInChI=1S/C18H21F4N3O/c19-14-9-5-4-6-12(14)11-25(13-7-2-1-3-8-13)17(26)15(23)10-16(24)18(20,21)22/h4-6,9-10,13,23H,1-3,7-8,11,24H2/b16-10?,23-15+
InChIKeyDEPJNUFYWCWEPJ-GQWABCIYSA-N
XLogP3.91
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclohexyl-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-iminopent-3-enamide?
The IUPAC name of 4-amino-N-cyclohexyl-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-iminopent-3-enamide (CID 152916365) is 4-amino-N-cyclohexyl-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-iminopent-3-enamide.
What is the SMILES notation for 4-amino-N-cyclohexyl-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-iminopent-3-enamide?
The canonical SMILES for 4-amino-N-cyclohexyl-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-iminopent-3-enamide is [H]/N=C(\C=C(N)C(F)(F)F)C(=O)N(Cc1ccccc1F)C1CCCCC1.
What is the InChIKey of 4-amino-N-cyclohexyl-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-iminopent-3-enamide?
The InChIKey is DEPJNUFYWCWEPJ-GQWABCIYSA-N. The full InChI is InChI=1S/C18H21F4N3O/c19-14-9-5-4-6-12(14)11-25(13-7-2-1-3-8-13)17(26)15(23)10-16(24)18(20,21)22/h4-6,9-10,13,23H,1-3,7-8,11,24H2/b16-10?,23-15+.
What are the key properties of 4-amino-N-cyclohexyl-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-iminopent-3-enamide?
4-amino-N-cyclohexyl-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-iminopent-3-enamide has a molecular weight of 371.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclohexyl-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-iminopent-3-enamide is sourced from PubChem (CID 152916365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).