N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluorobenzamide

C16H14ClFN2O2 — CID 8825896

IUPACN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluorobenzamide
SMILESCOc1ccc(Cl)cc1/C(C)=N\NC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-10(14-9-12(17)5-8-15(14)22-2)19-20-16(21)11-3-6-13(18)7-4-11/h3-9H,1-2H3,(H,20,21)/b19-10-
InChIKeyHZFKTNCANUNQFJ-GRSHGNNSSA-N
MW320.75 g/mol
LogP3.64
Rot. Bonds4

About N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluorobenzamide

N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluorobenzamide (PubChem CID 8825896) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluorobenzamide
PubChem CID8825896
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC NameN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluorobenzamide
SMILESCOc1ccc(Cl)cc1/C(C)=N\NC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-10(14-9-12(17)5-8-15(14)22-2)19-20-16(21)11-3-6-13(18)7-4-11/h3-9H,1-2H3,(H,20,21)/b19-10-
InChIKeyHZFKTNCANUNQFJ-GRSHGNNSSA-N
XLogP3.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.64
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

2-chloro-N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 6904308
N'-[(1E)-1-(5-chloro-2-hydroxyphenyl)ethylidene]benzohydrazide
CID 135578375
N-[2-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 275443
4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide
CID 4251870
(2E)-2-[(3-chlorobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 6251232
2-chloro-N'-[(1E)-(2-methoxyphenyl)methylene]benzohydrazide
CID 9682183
N-[(E)-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-4-methoxybenzamide
CID 118706237
N'-(5-chloro-2-methoxybenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 2091488
4-chloro-N'-[(2E)-1-(4-methoxyphenyl)propan-2-ylidene]benzohydrazide
CID 5981751
N'-(5-chloro-2-ethoxybenzylidene)benzohydrazide
CID 6876807
4-[(2-methoxyphenyl)methyl]-2H-phthalazin-1-one
CID 66897828
4-chloro-N'-(2-methoxybenzylidene)benzohydrazide
CID 5335154

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluorobenzamide (CID 8825896) is N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluorobenzamide is COc1ccc(Cl)cc1/C(C)=N\NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluorobenzamide?
The InChIKey is HZFKTNCANUNQFJ-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c1-10(14-9-12(17)5-8-15(14)22-2)19-20-16(21)11-3-6-13(18)7-4-11/h3-9H,1-2H3,(H,20,21)/b19-10-.
What are the key properties of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluorobenzamide?
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluorobenzamide has a molecular weight of 320.75 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 8825896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).