N'-[2-(2,5-dimethylphenoxy)ethoxy]-3,4-difluorobenzenecarboximidamide

C17H18F2N2O2 — CID 60595395

IUPACN'-[2-(2,5-dimethylphenoxy)ethoxy]-3,4-difluorobenzenecarboximidamide
SMILESCc1ccc(C)c(OCCO/N=C(/N)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H18F2N2O2/c1-11-3-4-12(2)16(9-11)22-7-8-23-21-17(20)13-5-6-14(18)15(19)10-13/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21)
InChIKeyNDMIPUONGOSWLI-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.30
Rot. Bonds6

About N'-[2-(2,5-dimethylphenoxy)ethoxy]-3,4-difluorobenzenecarboximidamide

N'-[2-(2,5-dimethylphenoxy)ethoxy]-3,4-difluorobenzenecarboximidamide (PubChem CID 60595395) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)ethoxy]-3,4-difluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)ethoxy]-3,4-difluorobenzenecarboximidamide
PubChem CID60595395
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC NameN'-[2-(2,5-dimethylphenoxy)ethoxy]-3,4-difluorobenzenecarboximidamide
SMILESCc1ccc(C)c(OCCO/N=C(/N)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H18F2N2O2/c1-11-3-4-12(2)16(9-11)22-7-8-23-21-17(20)13-5-6-14(18)15(19)10-13/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21)
InChIKeyNDMIPUONGOSWLI-UHFFFAOYSA-N
XLogP3.30
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
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': 'imine_2', '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'-[2-(2,5-dimethylphenoxy)ethoxy]-3,4-difluorobenzenecarboximidamide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)ethoxy]-3,4-difluorobenzenecarboximidamide (CID 60595395) is N'-[2-(2,5-dimethylphenoxy)ethoxy]-3,4-difluorobenzenecarboximidamide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)ethoxy]-3,4-difluorobenzenecarboximidamide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)ethoxy]-3,4-difluorobenzenecarboximidamide is Cc1ccc(C)c(OCCO/N=C(/N)c2ccc(F)c(F)c2)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)ethoxy]-3,4-difluorobenzenecarboximidamide?
The InChIKey is NDMIPUONGOSWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-11-3-4-12(2)16(9-11)22-7-8-23-21-17(20)13-5-6-14(18)15(19)10-13/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)ethoxy]-3,4-difluorobenzenecarboximidamide?
N'-[2-(2,5-dimethylphenoxy)ethoxy]-3,4-difluorobenzenecarboximidamide has a molecular weight of 320.34 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)ethoxy]-3,4-difluorobenzenecarboximidamide is sourced from PubChem (CID 60595395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).