N-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide

C16H18F4N2O2 — CID 4866547

IUPACN-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESO=C(NN=C1CCCCCC1)c1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C16H18F4N2O2/c17-15(18)16(19,20)24-13-9-5-6-11(10-13)14(23)22-21-12-7-3-1-2-4-8-12/h5-6,9-10,15H,1-4,7-8H2,(H,22,23)
InChIKeyWELBOLJGGQDYST-UHFFFAOYSA-N
MW346.32 g/mol
LogP4.36
Rot. Bonds5

About N-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide

N-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide (PubChem CID 4866547) has the molecular formula C16H18F4N2O2 and a molecular weight of 346.32 g/mol. Its IUPAC name is N-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide
PubChem CID4866547
Molecular FormulaC16H18F4N2O2
Molecular Weight346.32 g/mol
Exact Mass346.13
IUPAC NameN-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESO=C(NN=C1CCCCCC1)c1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C16H18F4N2O2/c17-15(18)16(19,20)24-13-9-5-6-11(10-13)14(23)22-21-12-7-3-1-2-4-8-12/h5-6,9-10,15H,1-4,7-8H2,(H,22,23)
InChIKeyWELBOLJGGQDYST-UHFFFAOYSA-N
XLogP4.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide?
The IUPAC name of N-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide (CID 4866547) is N-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide.
What is the SMILES notation for N-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide?
The canonical SMILES for N-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide is O=C(NN=C1CCCCCC1)c1cccc(OC(F)(F)C(F)F)c1.
What is the InChIKey of N-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide?
The InChIKey is WELBOLJGGQDYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N2O2/c17-15(18)16(19,20)24-13-9-5-6-11(10-13)14(23)22-21-12-7-3-1-2-4-8-12/h5-6,9-10,15H,1-4,7-8H2,(H,22,23).
What are the key properties of N-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide?
N-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide has a molecular weight of 346.32 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide is sourced from PubChem (CID 4866547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).