2-fluoro-N'-(4-methoxyanilino)ethanimidamide

C9H12FN3O — CID 141071523

IUPAC2-fluoro-N'-(4-methoxyanilino)ethanimidamide
SMILESCOc1ccc(N/N=C(\N)CF)cc1
InChIInChI=1S/C9H12FN3O/c1-14-8-4-2-7(3-5-8)12-13-9(11)6-10/h2-5,12H,6H2,1H3,(H2,11,13)
InChIKeyZDQMSAMAKJPULC-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.35
Rot. Bonds4

About 2-fluoro-N'-(4-methoxyanilino)ethanimidamide

2-fluoro-N'-(4-methoxyanilino)ethanimidamide (PubChem CID 141071523) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-fluoro-N'-(4-methoxyanilino)ethanimidamide.

Molecular Properties

Compound Name2-fluoro-N'-(4-methoxyanilino)ethanimidamide
PubChem CID141071523
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name2-fluoro-N'-(4-methoxyanilino)ethanimidamide
SMILESCOc1ccc(N/N=C(\N)CF)cc1
InChIInChI=1S/C9H12FN3O/c1-14-8-4-2-7(3-5-8)12-13-9(11)6-10/h2-5,12H,6H2,1H3,(H2,11,13)
InChIKeyZDQMSAMAKJPULC-UHFFFAOYSA-N
XLogP1.35
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-(4-methoxyanilino)-2-oxopropanimidamide
CID 6340122
ethyl (1E)-2-chloro-N-(4-methoxyphenyl)-2-oxoethanehydrazonate
CID 138388179
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid
CID 131854983
2-[(4-methoxyphenyl)hydrazinylidene]-2-phenylethanol
CID 88811907
(1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride
CID 90158450
(1Z)-2-amino-2-imino-N-[4-(4-methoxyphenoxy)anilino]ethanimidoyl cyanide
CID 172932012
N-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline
CID 5387946
(1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride
CID 89285686
(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide
CID 16762435
ethyl (2E)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 6880876
ethyl (2Z)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 5417584

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-(4-methoxyanilino)ethanimidamide?
The IUPAC name of 2-fluoro-N'-(4-methoxyanilino)ethanimidamide (CID 141071523) is 2-fluoro-N'-(4-methoxyanilino)ethanimidamide.
What is the SMILES notation for 2-fluoro-N'-(4-methoxyanilino)ethanimidamide?
The canonical SMILES for 2-fluoro-N'-(4-methoxyanilino)ethanimidamide is COc1ccc(N/N=C(\N)CF)cc1.
What is the InChIKey of 2-fluoro-N'-(4-methoxyanilino)ethanimidamide?
The InChIKey is ZDQMSAMAKJPULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-14-8-4-2-7(3-5-8)12-13-9(11)6-10/h2-5,12H,6H2,1H3,(H2,11,13).
What are the key properties of 2-fluoro-N'-(4-methoxyanilino)ethanimidamide?
2-fluoro-N'-(4-methoxyanilino)ethanimidamide has a molecular weight of 197.21 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(4-methoxyanilino)ethanimidamide is sourced from PubChem (CID 141071523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).