4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide

C21H17FN2O2 — CID 75306200

IUPAC4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(C=NNC(=O)c2ccc(-c3ccccc3F)cc2)c1
InChIInChI=1S/C21H17FN2O2/c1-26-18-6-4-5-15(13-18)14-23-24-21(25)17-11-9-16(10-12-17)19-7-2-3-8-20(19)22/h2-14H,1H3,(H,24,25)
InChIKeyKZWXYIPIJZCRJI-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.27
Rot. Bonds5

About 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide

4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide (PubChem CID 75306200) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide
PubChem CID75306200
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(C=NNC(=O)c2ccc(-c3ccccc3F)cc2)c1
InChIInChI=1S/C21H17FN2O2/c1-26-18-6-4-5-15(13-18)14-23-24-21(25)17-11-9-16(10-12-17)19-7-2-3-8-20(19)22/h2-14H,1H3,(H,24,25)
InChIKeyKZWXYIPIJZCRJI-UHFFFAOYSA-N
XLogP4.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.27
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-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 86809552
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide
CID 75306201
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5418227
N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
N-[(3-methoxyphenyl)methylideneamino]-4-[[4-[2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 68900901
N-[(E)-(3-methoxyphenyl)methylideneamino]-4-[[4-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 89119419
N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-[[3-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]amino]benzamide
CID 143915664
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 2641916
[3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 1001770

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide (CID 75306200) is 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide is COc1cccc(C=NNC(=O)c2ccc(-c3ccccc3F)cc2)c1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is KZWXYIPIJZCRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-26-18-6-4-5-15(13-18)14-23-24-21(25)17-11-9-16(10-12-17)19-7-2-3-8-20(19)22/h2-14H,1H3,(H,24,25).
What are the key properties of 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide?
4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 348.38 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 75306200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).