2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide

C10H14FN3O — CID 76931380

IUPAC2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)c1ccc(F)cc1
InChIInChI=1S/C10H14FN3O/c1-2-14(7-10(12)13-15)9-5-3-8(11)4-6-9/h3-6,15H,2,7H2,1H3,(H2,12,13)
InChIKeyRLVGZTHOPSINPP-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.40
Rot. Bonds4

About 2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide

2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide (PubChem CID 76931380) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide
PubChem CID76931380
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)c1ccc(F)cc1
InChIInChI=1S/C10H14FN3O/c1-2-14(7-10(12)13-15)9-5-3-8(11)4-6-9/h3-6,15H,2,7H2,1H3,(H2,12,13)
InChIKeyRLVGZTHOPSINPP-UHFFFAOYSA-N
XLogP1.40
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.40
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-fluoroaniline
CID 592416
4-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062044
(3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide
CID 55135186
6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710866
2-[(N-ethyl-4-fluoroanilino)methyl]prop-2-ene-1-thiol
CID 103073391
3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide
CID 77031082
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410
(Z)-4-(N-ethyl-4-fluoroanilino)-3-(methylamino)but-2-enamide
CID 122630764
3-(N-ethyl-4-methylanilino)-N'-hydroxypropanimidamide
CID 76931165
ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline
CID 143503842
4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
CID 77031382
3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide
CID 76930705

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide (CID 76931380) is 2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide is CCN(CC(N)=NO)c1ccc(F)cc1.
What is the InChIKey of 2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide?
The InChIKey is RLVGZTHOPSINPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-2-14(7-10(12)13-15)9-5-3-8(11)4-6-9/h3-6,15H,2,7H2,1H3,(H2,12,13).
What are the key properties of 2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide?
2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide has a molecular weight of 211.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide is sourced from PubChem (CID 76931380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).