4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide

C18H15FN4O2 — CID 135685168

IUPAC4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
SMILESCOc1ccc(-c2[nH]ncc2/C=N/NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN4O2/c1-25-16-8-4-12(5-9-16)17-14(10-20-22-17)11-21-23-18(24)13-2-6-15(19)7-3-13/h2-11H,1H3,(H,20,22)(H,23,24)/b21-11+
InChIKeyQAMIDIFGIFMKNP-SRZZPIQSSA-N
MW338.34 g/mol
LogP2.99
Rot. Bonds5

About 4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide

4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide (PubChem CID 135685168) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
PubChem CID135685168
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
SMILESCOc1ccc(-c2[nH]ncc2/C=N/NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN4O2/c1-25-16-8-4-12(5-9-16)17-14(10-20-22-17)11-21-23-18(24)13-2-6-15(19)7-3-13/h2-11H,1H3,(H,20,22)(H,23,24)/b21-11+
InChIKeyQAMIDIFGIFMKNP-SRZZPIQSSA-N
XLogP2.99
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-4-propoxybenzamide
CID 3601077
4-hydroxy-3-methoxy-N-[(Z)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135647372
N-[(Z)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135620182
3-ethoxy-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135684065
5-bromo-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide
CID 135685234
4-methoxy-N-[(E)-[5-(5-nitrofuran-2-yl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135729114
4-methoxy-N-[[5-(5-nitrofuran-2-yl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135980784
4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135892472
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 136900537
5-chloro-2-methoxy-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135683238
N-[(E)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-2-carboxamide
CID 135621572
N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide
CID 136728466

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide?
The IUPAC name of 4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide (CID 135685168) is 4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide?
The canonical SMILES for 4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide is COc1ccc(-c2[nH]ncc2/C=N/NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide?
The InChIKey is QAMIDIFGIFMKNP-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-25-16-8-4-12(5-9-16)17-14(10-20-22-17)11-21-23-18(24)13-2-6-15(19)7-3-13/h2-11H,1H3,(H,20,22)(H,23,24)/b21-11+.
What are the key properties of 4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide?
4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide has a molecular weight of 338.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide is sourced from PubChem (CID 135685168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).