N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide

C16H14ClFN2O2 — CID 126110168

IUPACN-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide
SMILESCCOc1ccc(Cl)cc1/C=N\NC(=O)c1cccc(F)c1
InChIInChI=1S/C16H14ClFN2O2/c1-2-22-15-7-6-13(17)8-12(15)10-19-20-16(21)11-4-3-5-14(18)9-11/h3-10H,2H2,1H3,(H,20,21)/b19-10-
InChIKeyWZSAUIVQBWJJJI-GRSHGNNSSA-N
MW320.75 g/mol
LogP3.64
Rot. Bonds5

About N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide

N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide (PubChem CID 126110168) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide
PubChem CID126110168
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC NameN-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide
SMILESCCOc1ccc(Cl)cc1/C=N\NC(=O)c1cccc(F)c1
InChIInChI=1S/C16H14ClFN2O2/c1-2-22-15-7-6-13(17)8-12(15)10-19-20-16(21)11-4-3-5-14(18)9-11/h3-10H,2H2,1H3,(H,20,21)/b19-10-
InChIKeyWZSAUIVQBWJJJI-GRSHGNNSSA-N
XLogP3.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 126103010
N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246115
N-[(E)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126326004
N-[(E)-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126317605
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 126055864
N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
CID 795240
N-[(E)-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126324453
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
N-[(E)-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126315344
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
CID 135615883
N-[(E)-[5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126329764
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 126090672

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide?
The IUPAC name of N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide (CID 126110168) is N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide.
What is the SMILES notation for N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide?
The canonical SMILES for N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide is CCOc1ccc(Cl)cc1/C=N\NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide?
The InChIKey is WZSAUIVQBWJJJI-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c1-2-22-15-7-6-13(17)8-12(15)10-19-20-16(21)11-4-3-5-14(18)9-11/h3-10H,2H2,1H3,(H,20,21)/b19-10-.
What are the key properties of N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide?
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide has a molecular weight of 320.75 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide is sourced from PubChem (CID 126110168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).