N-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide

C26H24FN5O3 — CID 6893267

IUPACN-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1
InChIInChI=1S/C26H24FN5O3/c1-18-22(16-29-30-25(33)17-28-23-10-6-7-11-24(23)34-2)26(35-21-14-12-19(27)13-15-21)32(31-18)20-8-4-3-5-9-20/h3-16,28H,17H2,1-2H3,(H,30,33)/b29-16+
InChIKeyMDRDQNXUFRUUTN-MUFRIFMGSA-N
MW473.51 g/mol
LogP4.68
Rot. Bonds9

About N-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide

N-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide (PubChem CID 6893267) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is N-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
PubChem CID6893267
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC NameN-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1
InChIInChI=1S/C26H24FN5O3/c1-18-22(16-29-30-25(33)17-28-23-10-6-7-11-24(23)34-2)26(35-21-14-12-19(27)13-15-21)32(31-18)20-8-4-3-5-9-20/h3-16,28H,17H2,1-2H3,(H,30,33)/b29-16+
InChIKeyMDRDQNXUFRUUTN-MUFRIFMGSA-N
XLogP4.68
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-3-propan-2-ylthiourea
CID 7934595
4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 5452451
2-(2-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6910807
1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 2368370
N-[(E)-[5-(4-ethoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 42993077
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
CID 6910859
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 6910847
N-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine
CID 6155597
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5404184
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 759194
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5401700
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974942

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide (CID 6893267) is N-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide is COc1ccccc1NCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1.
What is the InChIKey of N-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide?
The InChIKey is MDRDQNXUFRUUTN-MUFRIFMGSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-18-22(16-29-30-25(33)17-28-23-10-6-7-11-24(23)34-2)26(35-21-14-12-19(27)13-15-21)32(31-18)20-8-4-3-5-9-20/h3-16,28H,17H2,1-2H3,(H,30,33)/b29-16+.
What are the key properties of N-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide?
N-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide has a molecular weight of 473.51 g/mol, XLogP of 4.68, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 6893267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).