4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide

C12H15ClFN3O2 — CID 103046739

IUPAC4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide
SMILESN/C(=N/O)C1CN(Cc2cc(Cl)ccc2F)CCO1
InChIInChI=1S/C12H15ClFN3O2/c13-9-1-2-10(14)8(5-9)6-17-3-4-19-11(7-17)12(15)16-18/h1-2,5,11,18H,3-4,6-7H2,(H2,15,16)
InChIKeyCYOMQLTYFKRIGG-UHFFFAOYSA-N
MW287.72 g/mol
LogP1.43
Rot. Bonds3

About 4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide

4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide (PubChem CID 103046739) has the molecular formula C12H15ClFN3O2 and a molecular weight of 287.72 g/mol. Its IUPAC name is 4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide.

Molecular Properties

Compound Name4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide
PubChem CID103046739
Molecular FormulaC12H15ClFN3O2
Molecular Weight287.72 g/mol
Exact Mass287.08
IUPAC Name4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide
SMILESN/C(=N/O)C1CN(Cc2cc(Cl)ccc2F)CCO1
InChIInChI=1S/C12H15ClFN3O2/c13-9-1-2-10(14)8(5-9)6-17-3-4-19-11(7-17)12(15)16-18/h1-2,5,11,18H,3-4,6-7H2,(H2,15,16)
InChIKeyCYOMQLTYFKRIGG-UHFFFAOYSA-N
XLogP1.43
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
CID 51530238
1-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 103046735
N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide
CID 79670534
4-[(4-bromothiophen-2-yl)methyl]-N'-hydroxymorpholine-2-carboximidamide
CID 79680504
1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine
CID 114857925
4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide
CID 116789560
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 96916148
4-[(3-bromo-4-methoxyphenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide
CID 79680600
N'-hydroxy-4-(quinolin-6-ylmethyl)morpholine-2-carboximidamide
CID 79670544
[4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol
CID 91648632
4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine
CID 131930506

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide?
The IUPAC name of 4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide (CID 103046739) is 4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide.
What is the SMILES notation for 4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide?
The canonical SMILES for 4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide is N/C(=N/O)C1CN(Cc2cc(Cl)ccc2F)CCO1.
What is the InChIKey of 4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide?
The InChIKey is CYOMQLTYFKRIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3O2/c13-9-1-2-10(14)8(5-9)6-17-3-4-19-11(7-17)12(15)16-18/h1-2,5,11,18H,3-4,6-7H2,(H2,15,16).
What are the key properties of 4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide?
4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide has a molecular weight of 287.72 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide is sourced from PubChem (CID 103046739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).