N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide

C17H22F3N3O2 — CID 6379660

IUPACN-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide
SMILESCCCCCCC(=O)N/N=C(/C)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H22F3N3O2/c1-3-4-5-6-7-15(24)23-22-12(2)13-8-10-14(11-9-13)21-16(25)17(18,19)20/h8-11H,3-7H2,1-2H3,(H,21,25)(H,23,24)/b22-12-
InChIKeyFGOILBRREVFWOP-UUYOSTAYSA-N
MW357.38 g/mol
LogP4.00
Rot. Bonds8

About N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide

N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide (PubChem CID 6379660) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide
PubChem CID6379660
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC NameN-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide
SMILESCCCCCCC(=O)N/N=C(/C)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H22F3N3O2/c1-3-4-5-6-7-15(24)23-22-12(2)13-8-10-14(11-9-13)21-16(25)17(18,19)20/h8-11H,3-7H2,1-2H3,(H,21,25)(H,23,24)/b22-12-
InChIKeyFGOILBRREVFWOP-UUYOSTAYSA-N
XLogP4.00
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]anilino]-5-oxopentanoic acid
CID 6155679
N-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
CID 6165307
N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
CID 4619504
4-chloro-N-[4-[N-(hexanoylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 5075525
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452
N-[1-(4-ethylphenyl)ethylideneamino]nonanamide
CID 4685925
N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
CID 6177715
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408
N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide
CID 5223518
N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
CID 6163036
N,N'-bis[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]pentanediamide
CID 3899858
2,2,2-trifluoro-N-[4-[(E)-N-[[2-(4-hydroxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 17337912

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide?
The IUPAC name of N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide (CID 6379660) is N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide.
What is the SMILES notation for N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide?
The canonical SMILES for N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide is CCCCCCC(=O)N/N=C(/C)c1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide?
The InChIKey is FGOILBRREVFWOP-UUYOSTAYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-3-4-5-6-7-15(24)23-22-12(2)13-8-10-14(11-9-13)21-16(25)17(18,19)20/h8-11H,3-7H2,1-2H3,(H,21,25)(H,23,24)/b22-12-.
What are the key properties of N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide?
N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide has a molecular weight of 357.38 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide is sourced from PubChem (CID 6379660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).