2-chloro-6-fluoro-N'-methoxybenzenecarboximidamide

C8H8ClFN2O — CID 82469758

IUPAC2-chloro-6-fluoro-N'-methoxybenzenecarboximidamide
SMILESCO/N=C(\N)c1c(F)cccc1Cl
InChIInChI=1S/C8H8ClFN2O/c1-13-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H2,11,12)
InChIKeyXFBZKDLGBGYJAW-UHFFFAOYSA-N
MW202.62 g/mol
LogP1.75
Rot. Bonds2

About 2-chloro-6-fluoro-N'-methoxybenzenecarboximidamide

2-chloro-6-fluoro-N'-methoxybenzenecarboximidamide (PubChem CID 82469758) has the molecular formula C8H8ClFN2O and a molecular weight of 202.62 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N'-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N'-methoxybenzenecarboximidamide
PubChem CID82469758
Molecular FormulaC8H8ClFN2O
Molecular Weight202.62 g/mol
Exact Mass202.03
IUPAC Name2-chloro-6-fluoro-N'-methoxybenzenecarboximidamide
SMILESCO/N=C(\N)c1c(F)cccc1Cl
InChIInChI=1S/C8H8ClFN2O/c1-13-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H2,11,12)
InChIKeyXFBZKDLGBGYJAW-UHFFFAOYSA-N
XLogP1.75
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide
CID 82471702
(E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine
CID 135075756
2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide
CID 12728425
2-chloro-6-fluorobenzenecarbothioyl chloride
CID 135378581
propyl 2-chloro-6-fluorobenzoate
CID 43389524
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
[(E)-[amino-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylidene]amino] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 6293797
2-amino-1-(2-chloro-6-fluorophenyl)ethanone
CID 65179390
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
1-(2-chloro-6-fluorophenyl)-4-methoxybutan-1-one
CID 115815531
2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide
CID 51074979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N'-methoxybenzenecarboximidamide?
The IUPAC name of 2-chloro-6-fluoro-N'-methoxybenzenecarboximidamide (CID 82469758) is 2-chloro-6-fluoro-N'-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-fluoro-N'-methoxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-fluoro-N'-methoxybenzenecarboximidamide is CO/N=C(\N)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N'-methoxybenzenecarboximidamide?
The InChIKey is XFBZKDLGBGYJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O/c1-13-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H2,11,12).
What are the key properties of 2-chloro-6-fluoro-N'-methoxybenzenecarboximidamide?
2-chloro-6-fluoro-N'-methoxybenzenecarboximidamide has a molecular weight of 202.62 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N'-methoxybenzenecarboximidamide is sourced from PubChem (CID 82469758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).