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

C21H26FN3O2 — CID 9016645

IUPACN-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-4-fluorobenzamide
SMILESCCN(CC)Cc1cc(/C(C)=N\NC(=O)c2ccc(F)cc2)ccc1OC
InChIInChI=1S/C21H26FN3O2/c1-5-25(6-2)14-18-13-17(9-12-20(18)27-4)15(3)23-24-21(26)16-7-10-19(22)11-8-16/h7-13H,5-6,14H2,1-4H3,(H,24,26)/b23-15-
InChIKeySJDHPGZEUUAJIZ-HAHDFKILSA-N
MW371.46 g/mol
LogP3.83
Rot. Bonds8

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

N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-4-fluorobenzamide (PubChem CID 9016645) 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]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-4-fluorobenzamide
PubChem CID9016645
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-4-fluorobenzamide
SMILESCCN(CC)Cc1cc(/C(C)=N\NC(=O)c2ccc(F)cc2)ccc1OC
InChIInChI=1S/C21H26FN3O2/c1-5-25(6-2)14-18-13-17(9-12-20(18)27-4)15(3)23-24-21(26)16-7-10-19(22)11-8-16/h7-13H,5-6,14H2,1-4H3,(H,24,26)/b23-15-
InChIKeySJDHPGZEUUAJIZ-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-nitrobenzamide
CID 9014893
N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide
CID 9235818
diethyl-[[5-[(Z)-N-[(4-fluorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenyl]methyl]azanium
CID 9016644
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
diethyl-[[2-methoxy-5-[(Z)-N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]methyl]azanium
CID 9359284
4-chloro-3-[(2Z)-2-[1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylidene]hydrazinyl]benzoic acid
CID 8974024
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide
CID 9121111
3,4-dimethoxy-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]benzamide
CID 9232532
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
CID 4550766
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
diethyl-[[2-methoxy-5-[(Z)-C-methyl-N-[(4-nitrobenzoyl)amino]carbonimidoyl]phenyl]methyl]azanium
CID 9014892

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-4-fluorobenzamide (CID 9016645) is N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-4-fluorobenzamide is CCN(CC)Cc1cc(/C(C)=N\NC(=O)c2ccc(F)cc2)ccc1OC.
What is the InChIKey of N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-4-fluorobenzamide?
The InChIKey is SJDHPGZEUUAJIZ-HAHDFKILSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-5-25(6-2)14-18-13-17(9-12-20(18)27-4)15(3)23-24-21(26)16-7-10-19(22)11-8-16/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]-4-fluorobenzamide?
N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-4-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]-4-fluorobenzamide is sourced from PubChem (CID 9016645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).