N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide

C16H14BrFN2O2 — CID 9214902

IUPACN-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C16H14BrFN2O2/c1-2-22-13-6-4-12(5-7-13)16(21)20-19-10-11-3-8-15(18)14(17)9-11/h3-10H,2H2,1H3,(H,20,21)/b19-10-
InChIKeyUWVXIAXABGSZGN-GRSHGNNSSA-N
MW365.20 g/mol
LogP3.75
Rot. Bonds5

About N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide

N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide (PubChem CID 9214902) has the molecular formula C16H14BrFN2O2 and a molecular weight of 365.20 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide
PubChem CID9214902
Molecular FormulaC16H14BrFN2O2
Molecular Weight365.20 g/mol
Exact Mass364.02
IUPAC NameN-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C16H14BrFN2O2/c1-2-22-13-6-4-12(5-7-13)16(21)20-19-10-11-3-8-15(18)14(17)9-11/h3-10H,2H2,1H3,(H,20,21)/b19-10-
InChIKeyUWVXIAXABGSZGN-GRSHGNNSSA-N
XLogP3.75
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 53.75
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-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246243
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 136671572
N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 124537178
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 6298230
N-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246135
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 137122703
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246143

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide?
The IUPAC name of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide (CID 9214902) is N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide is CCOc1ccc(C(=O)N/N=C\c2ccc(F)c(Br)c2)cc1.
What is the InChIKey of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide?
The InChIKey is UWVXIAXABGSZGN-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H14BrFN2O2/c1-2-22-13-6-4-12(5-7-13)16(21)20-19-10-11-3-8-15(18)14(17)9-11/h3-10H,2H2,1H3,(H,20,21)/b19-10-.
What are the key properties of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide?
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide has a molecular weight of 365.20 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide is sourced from PubChem (CID 9214902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).