N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide

C21H26FN3O2 — CID 9235818

IUPACN-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide
SMILESCCN(CC)Cc1cc(/C(C)=N\NC(=O)c2ccccc2F)ccc1OC
InChIInChI=1S/C21H26FN3O2/c1-5-25(6-2)14-17-13-16(11-12-20(17)27-4)15(3)23-24-21(26)18-9-7-8-10-19(18)22/h7-13H,5-6,14H2,1-4H3,(H,24,26)/b23-15-
InChIKeyVYOYRBQTVVHWBX-HAHDFKILSA-N
MW371.46 g/mol
LogP3.83
Rot. Bonds8

About N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide

N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide (PubChem CID 9235818) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide
PubChem CID9235818
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide
SMILESCCN(CC)Cc1cc(/C(C)=N\NC(=O)c2ccccc2F)ccc1OC
InChIInChI=1S/C21H26FN3O2/c1-5-25(6-2)14-17-13-16(11-12-20(17)27-4)15(3)23-24-21(26)18-9-7-8-10-19(18)22/h7-13H,5-6,14H2,1-4H3,(H,24,26)/b23-15-
InChIKeyVYOYRBQTVVHWBX-HAHDFKILSA-N
XLogP3.83
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
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-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-4-fluorobenzamide
CID 9016645
N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-4-nitrobenzamide
CID 9014893
2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4200169
2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide
CID 9121111
diethyl-[[5-[(Z)-N-[(4-fluorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenyl]methyl]azanium
CID 9016644
N-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135588317
4-chloro-3-[(2Z)-2-[1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylidene]hydrazinyl]benzoic acid
CID 8974024
2-hydroxy-N-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]benzamide
CID 4521127
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
CID 4550766
2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 24818707
2-[5-[(Z)-N-[(5-chloro-2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenyl]acetic acid
CID 9297810
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide?
The IUPAC name of N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide (CID 9235818) is N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide.
What is the SMILES notation for N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide?
The canonical SMILES for N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide is CCN(CC)Cc1cc(/C(C)=N\NC(=O)c2ccccc2F)ccc1OC.
What is the InChIKey of N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide?
The InChIKey is VYOYRBQTVVHWBX-HAHDFKILSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-5-25(6-2)14-17-13-16(11-12-20(17)27-4)15(3)23-24-21(26)18-9-7-8-10-19(18)22/h7-13H,5-6,14H2,1-4H3,(H,24,26)/b23-15-.
What are the key properties of N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide?
N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide has a molecular weight of 371.46 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide is sourced from PubChem (CID 9235818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).