(2E)-4-(6-fluoronaphthalen-2-yl)-2-methoxyiminobutanamide

C15H15FN2O2 — CID 144811700

IUPAC(2E)-4-(6-fluoronaphthalen-2-yl)-2-methoxyiminobutanamide
SMILESCO/N=C(\CCc1ccc2cc(F)ccc2c1)C(N)=O
InChIInChI=1S/C15H15FN2O2/c1-20-18-14(15(17)19)7-3-10-2-4-12-9-13(16)6-5-11(12)8-10/h2,4-6,8-9H,3,7H2,1H3,(H2,17,19)/b18-14+
InChIKeyHATVHMQZYCGCPQ-NBVRZTHBSA-N
MW274.30 g/mol
LogP2.40
Rot. Bonds5

About (2E)-4-(6-fluoronaphthalen-2-yl)-2-methoxyiminobutanamide

(2E)-4-(6-fluoronaphthalen-2-yl)-2-methoxyiminobutanamide (PubChem CID 144811700) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is (2E)-4-(6-fluoronaphthalen-2-yl)-2-methoxyiminobutanamide.

Molecular Properties

Compound Name(2E)-4-(6-fluoronaphthalen-2-yl)-2-methoxyiminobutanamide
PubChem CID144811700
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name(2E)-4-(6-fluoronaphthalen-2-yl)-2-methoxyiminobutanamide
SMILESCO/N=C(\CCc1ccc2cc(F)ccc2c1)C(N)=O
InChIInChI=1S/C15H15FN2O2/c1-20-18-14(15(17)19)7-3-10-2-4-12-9-13(16)6-5-11(12)8-10/h2,4-6,8-9H,3,7H2,1H3,(H2,17,19)/b18-14+
InChIKeyHATVHMQZYCGCPQ-NBVRZTHBSA-N
XLogP2.40
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]azetidine;(2E)-4-(6-fluoronaphthalen-2-yl)-2-hydroxyiminobutanamide
CID 144811493
ethyl 4-(6-fluoronaphthalen-2-yl)-2-nitrosobutanoate
CID 123239918
2-methoxyimino-3-phenylpropanamide
CID 139885002
2-ethyl-6-fluoronaphthalene
CID 58787061
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide
CID 166059452
3-(6-ethylnaphthalen-2-yl)propanoic acid
CID 144687708
methyl 2-[4-(6-fluoronaphthalen-2-yl)iodanuidylphenyl]acetate
CID 140867701
(2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid
CID 88702899
3-(7-fluorodibenzofuran-3-yl)propanamide
CID 167103518
propan-2-yl 4-(4-fluorophenyl)-2-hydroxyiminobutanoate
CID 73432748
methyl 2-(6-fluoronaphthalen-2-yl)propanoate
CID 70591707

Frequently Asked Questions

What is the IUPAC name of (2E)-4-(6-fluoronaphthalen-2-yl)-2-methoxyiminobutanamide?
The IUPAC name of (2E)-4-(6-fluoronaphthalen-2-yl)-2-methoxyiminobutanamide (CID 144811700) is (2E)-4-(6-fluoronaphthalen-2-yl)-2-methoxyiminobutanamide.
What is the SMILES notation for (2E)-4-(6-fluoronaphthalen-2-yl)-2-methoxyiminobutanamide?
The canonical SMILES for (2E)-4-(6-fluoronaphthalen-2-yl)-2-methoxyiminobutanamide is CO/N=C(\CCc1ccc2cc(F)ccc2c1)C(N)=O.
What is the InChIKey of (2E)-4-(6-fluoronaphthalen-2-yl)-2-methoxyiminobutanamide?
The InChIKey is HATVHMQZYCGCPQ-NBVRZTHBSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-20-18-14(15(17)19)7-3-10-2-4-12-9-13(16)6-5-11(12)8-10/h2,4-6,8-9H,3,7H2,1H3,(H2,17,19)/b18-14+.
What are the key properties of (2E)-4-(6-fluoronaphthalen-2-yl)-2-methoxyiminobutanamide?
(2E)-4-(6-fluoronaphthalen-2-yl)-2-methoxyiminobutanamide has a molecular weight of 274.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-(6-fluoronaphthalen-2-yl)-2-methoxyiminobutanamide is sourced from PubChem (CID 144811700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).