N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide

C15H13FN2O2 — CID 6870619

IUPACN-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN2O2/c1-20-14-8-4-12(5-9-14)15(19)18-17-10-11-2-6-13(16)7-3-11/h2-10H,1H3,(H,18,19)/b17-10+
InChIKeyUKPYHZJHGFRDBZ-LICLKQGHSA-N
MW272.28 g/mol
LogP2.60
Rot. Bonds4

About N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide

N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide (PubChem CID 6870619) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
PubChem CID6870619
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC NameN-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN2O2/c1-20-14-8-4-12(5-9-14)15(19)18-17-10-11-2-6-13(16)7-3-11/h2-10H,1H3,(H,18,19)/b17-10+
InChIKeyUKPYHZJHGFRDBZ-LICLKQGHSA-N
XLogP2.60
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.60
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

4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5404625
4-methoxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5338338
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 2641916
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 8979924
methyl 2-[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 94833156
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide (CID 6870619) is N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide?
The InChIKey is UKPYHZJHGFRDBZ-LICLKQGHSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-20-14-8-4-12(5-9-14)15(19)18-17-10-11-2-6-13(16)7-3-11/h2-10H,1H3,(H,18,19)/b17-10+.
What are the key properties of N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide?
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide has a molecular weight of 272.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 6870619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).