N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide

C17H16ClFN2O3 — CID 8826178

IUPACN-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)c2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C17H16ClFN2O3/c1-10(13-6-5-12(19)9-14(13)18)20-21-17(22)11-4-7-15(23-2)16(8-11)24-3/h4-9H,1-3H3,(H,21,22)/b20-10-
InChIKeyGAVHMFYEXSINHX-JMIUGGIZSA-N
MW350.78 g/mol
LogP3.65
Rot. Bonds5

About N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide

N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide (PubChem CID 8826178) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
PubChem CID8826178
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC NameN-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)c2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C17H16ClFN2O3/c1-10(13-6-5-12(19)9-14(13)18)20-21-17(22)11-4-7-15(23-2)16(8-11)24-3/h4-9H,1-3H3,(H,21,22)/b20-10-
InChIKeyGAVHMFYEXSINHX-JMIUGGIZSA-N
XLogP3.65
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.65
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-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 55353185
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3627864
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
CID 4550766
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide
CID 4181605
N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621941
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
N'-(2,4-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 26893672
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512
3,4-dichloro-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 4131490

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide (CID 8826178) is N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N/N=C(/C)c2ccc(F)cc2Cl)cc1OC.
What is the InChIKey of N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide?
The InChIKey is GAVHMFYEXSINHX-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-10(13-6-5-12(19)9-14(13)18)20-21-17(22)11-4-7-15(23-2)16(8-11)24-3/h4-9H,1-3H3,(H,21,22)/b20-10-.
What are the key properties of N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide?
N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide has a molecular weight of 350.78 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 8826178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).