N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-morpholin-4-ylbenzenecarboximidamide

C20H23F2N3O — CID 123456692

IUPACN'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-morpholin-4-ylbenzenecarboximidamide
SMILESCC(F)(F)c1ccc(C/N=C(\N)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H23F2N3O/c1-20(21,22)17-6-2-15(3-7-17)14-24-19(23)16-4-8-18(9-5-16)25-10-12-26-13-11-25/h2-9H,10-14H2,1H3,(H2,23,24)
InChIKeyJMZNFQDHKROSBE-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.54
Rot. Bonds5

About N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-morpholin-4-ylbenzenecarboximidamide

N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-morpholin-4-ylbenzenecarboximidamide (PubChem CID 123456692) has the molecular formula C20H23F2N3O and a molecular weight of 359.42 g/mol. Its IUPAC name is N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-morpholin-4-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-morpholin-4-ylbenzenecarboximidamide
PubChem CID123456692
Molecular FormulaC20H23F2N3O
Molecular Weight359.42 g/mol
Exact Mass359.18
IUPAC NameN'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-morpholin-4-ylbenzenecarboximidamide
SMILESCC(F)(F)c1ccc(C/N=C(\N)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H23F2N3O/c1-20(21,22)17-6-2-15(3-7-17)14-24-19(23)16-4-8-18(9-5-16)25-10-12-26-13-11-25/h2-9H,10-14H2,1H3,(H2,23,24)
InChIKeyJMZNFQDHKROSBE-UHFFFAOYSA-N
XLogP3.54
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-morpholin-4-ylbenzenecarboximidamide 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'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-morpholin-4-ylbenzenecarboximidamide?
The IUPAC name of N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-morpholin-4-ylbenzenecarboximidamide (CID 123456692) is N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-morpholin-4-ylbenzenecarboximidamide.
What is the SMILES notation for N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-morpholin-4-ylbenzenecarboximidamide?
The canonical SMILES for N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-morpholin-4-ylbenzenecarboximidamide is CC(F)(F)c1ccc(C/N=C(\N)c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-morpholin-4-ylbenzenecarboximidamide?
The InChIKey is JMZNFQDHKROSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O/c1-20(21,22)17-6-2-15(3-7-17)14-24-19(23)16-4-8-18(9-5-16)25-10-12-26-13-11-25/h2-9H,10-14H2,1H3,(H2,23,24).
What are the key properties of N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-morpholin-4-ylbenzenecarboximidamide?
N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-morpholin-4-ylbenzenecarboximidamide has a molecular weight of 359.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-morpholin-4-ylbenzenecarboximidamide is sourced from PubChem (CID 123456692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).