N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide

C18H17BrFN3O2 — CID 126366009

IUPACN-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
SMILESC=CCOc1ccc(Br)cc1/C=N\NC(=O)CNc1ccc(F)cc1
InChIInChI=1S/C18H17BrFN3O2/c1-2-9-25-17-8-3-14(19)10-13(17)11-22-23-18(24)12-21-16-6-4-15(20)5-7-16/h2-8,10-11,21H,1,9,12H2,(H,23,24)/b22-11-
InChIKeyPSOOVTRLDAYGKP-JJFYIABZSA-N
MW406.26 g/mol
LogP3.72
Rot. Bonds8

About N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide

N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide (PubChem CID 126366009) has the molecular formula C18H17BrFN3O2 and a molecular weight of 406.26 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
PubChem CID126366009
Molecular FormulaC18H17BrFN3O2
Molecular Weight406.26 g/mol
Exact Mass405.05
IUPAC NameN-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
SMILESC=CCOc1ccc(Br)cc1/C=N\NC(=O)CNc1ccc(F)cc1
InChIInChI=1S/C18H17BrFN3O2/c1-2-9-25-17-8-3-14(19)10-13(17)11-22-23-18(24)12-21-16-6-4-15(20)5-7-16/h2-8,10-11,21H,1,9,12H2,(H,23,24)/b22-11-
InChIKeyPSOOVTRLDAYGKP-JJFYIABZSA-N
XLogP3.72
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.26
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide
CID 4097295
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 2824721
N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 126272280
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(4-chloroanilino)acetamide
CID 4573568
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 137022207
N'-[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4092508
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126321514
2-[4-bromo-2-[(E)-[(3-ethoxy-4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126316247
N'-[(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 4665681
N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 5012464
2-(4-bromoanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54811194
4-(benzenesulfonamido)-N-[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 4287720

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
The IUPAC name of N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide (CID 126366009) is N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide is C=CCOc1ccc(Br)cc1/C=N\NC(=O)CNc1ccc(F)cc1.
What is the InChIKey of N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
The InChIKey is PSOOVTRLDAYGKP-JJFYIABZSA-N. The full InChI is InChI=1S/C18H17BrFN3O2/c1-2-9-25-17-8-3-14(19)10-13(17)11-22-23-18(24)12-21-16-6-4-15(20)5-7-16/h2-8,10-11,21H,1,9,12H2,(H,23,24)/b22-11-.
What are the key properties of N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide has a molecular weight of 406.26 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide is sourced from PubChem (CID 126366009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).