N'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboximidamide

C13H16ClF2N3O2 — CID 75494601

IUPACN'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboximidamide
SMILESN/C(=N\Cc1cc(Cl)ccc1OC(F)F)N1CCOCC1
InChIInChI=1S/C13H16ClF2N3O2/c14-10-1-2-11(21-12(15)16)9(7-10)8-18-13(17)19-3-5-20-6-4-19/h1-2,7,12H,3-6,8H2,(H2,17,18)
InChIKeySOLUOZSMPCBDCX-UHFFFAOYSA-N
MW319.74 g/mol
LogP2.09
Rot. Bonds4

About N'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboximidamide

N'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboximidamide (PubChem CID 75494601) has the molecular formula C13H16ClF2N3O2 and a molecular weight of 319.74 g/mol. Its IUPAC name is N'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboximidamide
PubChem CID75494601
Molecular FormulaC13H16ClF2N3O2
Molecular Weight319.74 g/mol
Exact Mass319.09
IUPAC NameN'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboximidamide
SMILESN/C(=N\Cc1cc(Cl)ccc1OC(F)F)N1CCOCC1
InChIInChI=1S/C13H16ClF2N3O2/c14-10-1-2-11(21-12(15)16)9(7-10)8-18-13(17)19-3-5-20-6-4-19/h1-2,7,12H,3-6,8H2,(H2,17,18)
InChIKeySOLUOZSMPCBDCX-UHFFFAOYSA-N
XLogP2.09
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 52.09
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboximidamide (CID 75494601) is N'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboximidamide is N/C(=N\Cc1cc(Cl)ccc1OC(F)F)N1CCOCC1.
What is the InChIKey of N'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboximidamide?
The InChIKey is SOLUOZSMPCBDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2N3O2/c14-10-1-2-11(21-12(15)16)9(7-10)8-18-13(17)19-3-5-20-6-4-19/h1-2,7,12H,3-6,8H2,(H2,17,18).
What are the key properties of N'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboximidamide?
N'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboximidamide has a molecular weight of 319.74 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 75494601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).