N-cyclohexyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide

C17H20F3N3O2 — CID 3734447

IUPACN-cyclohexyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide
SMILESO=C(CC(=O)NC1CCCCC1)NN=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)14-9-5-4-6-12(14)11-21-23-16(25)10-15(24)22-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H,22,24)(H,23,25)
InChIKeyQKCXOTMRXQPEBW-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.99
Rot. Bonds5

About N-cyclohexyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide

N-cyclohexyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide (PubChem CID 3734447) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-cyclohexyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide
PubChem CID3734447
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC NameN-cyclohexyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide
SMILESO=C(CC(=O)NC1CCCCC1)NN=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)14-9-5-4-6-12(14)11-21-23-16(25)10-15(24)22-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H,22,24)(H,23,25)
InChIKeyQKCXOTMRXQPEBW-UHFFFAOYSA-N
XLogP2.99
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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

2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 71966857
N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide
CID 1098758
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 8866124
N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
CID 3829252
N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]octadecanamide
CID 45054433
N'-[(E)-(3-bromophenyl)methylideneamino]-N-cyclohexylpropanediamide
CID 21211606
N'-[(E)-(3-chlorophenyl)methylideneamino]-N-cyclohexylpropanediamide
CID 21211605
2-(4-chlorophenoxy)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6899394
2-thiomorpholin-4-yl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338380
2-(4-tert-butylphenoxy)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 7750374
2-(2,4-dichlorophenoxy)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6153860
2-(4-methoxyphenyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6258756

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide?
The IUPAC name of N-cyclohexyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide (CID 3734447) is N-cyclohexyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide.
What is the SMILES notation for N-cyclohexyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide?
The canonical SMILES for N-cyclohexyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide is O=C(CC(=O)NC1CCCCC1)NN=Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-cyclohexyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide?
The InChIKey is QKCXOTMRXQPEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c18-17(19,20)14-9-5-4-6-12(14)11-21-23-16(25)10-15(24)22-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H,22,24)(H,23,25).
What are the key properties of N-cyclohexyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide?
N-cyclohexyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide has a molecular weight of 355.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide is sourced from PubChem (CID 3734447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).