N-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide

C21H19FN2O2 — CID 126252327

IUPACN-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(/C=N/NC(=O)Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C21H19FN2O2/c1-2-26-20-12-9-16(18-5-3-4-6-19(18)20)14-23-24-21(25)13-15-7-10-17(22)11-8-15/h3-12,14H,2,13H2,1H3,(H,24,25)/b23-14+
InChIKeyFSAXZJWYPFBODQ-OEAKJJBVSA-N
MW350.39 g/mol
LogP4.07
Rot. Bonds6

About N-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide

N-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide (PubChem CID 126252327) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
PubChem CID126252327
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC NameN-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(/C=N/NC(=O)Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C21H19FN2O2/c1-2-26-20-12-9-16(18-5-3-4-6-19(18)20)14-23-24-21(25)13-15-7-10-17(22)11-8-15/h3-12,14H,2,13H2,1H3,(H,24,25)/b23-14+
InChIKeyFSAXZJWYPFBODQ-OEAKJJBVSA-N
XLogP4.07
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.07
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

N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515359
N-[(E)-(2-bromo-4,5-diethoxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126249707
N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968708
2-[5-bromo-2-ethoxy-4-[(E)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 126235371
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5416826
N-[(E)-[3-ethoxy-5-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126239386
N-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 3616632
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428594
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5191002
3-chloro-N-[(E)-[4-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 59091778
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
CID 6124304
ethyl 2-[2-bromo-6-ethoxy-4-[(E)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126227618

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide (CID 126252327) is N-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide is CCOc1ccc(/C=N/NC(=O)Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide?
The InChIKey is FSAXZJWYPFBODQ-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-2-26-20-12-9-16(18-5-3-4-6-19(18)20)14-23-24-21(25)13-15-7-10-17(22)11-8-15/h3-12,14H,2,13H2,1H3,(H,24,25)/b23-14+.
What are the key properties of N-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide?
N-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide has a molecular weight of 350.39 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 126252327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).