N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C19H19BrN2O3 — CID 6142929

IUPACN-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)N/N=C\c2cccc(Br)c2)c(OC)c1
InChIInChI=1S/C19H19BrN2O3/c1-3-5-14-8-9-17(18(11-14)24-2)25-13-19(23)22-21-12-15-6-4-7-16(20)10-15/h3-4,6-12H,1,5,13H2,2H3,(H,22,23)/b21-12-
InChIKeyKDAABRVOJKTMSZ-MTJSOVHGSA-N
MW403.28 g/mol
LogP3.72
Rot. Bonds8

About N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 6142929) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID6142929
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC NameN-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)N/N=C\c2cccc(Br)c2)c(OC)c1
InChIInChI=1S/C19H19BrN2O3/c1-3-5-14-8-9-17(18(11-14)24-2)25-13-19(23)22-21-12-15-6-4-7-16(20)10-15/h3-4,6-12H,1,5,13H2,2H3,(H,22,23)/b21-12-
InChIKeyKDAABRVOJKTMSZ-MTJSOVHGSA-N
XLogP3.72
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
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)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)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

[4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 5078894
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[(E)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 19577478
[4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 3504069
N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 60549237
N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216414
N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19189565
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4547272
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 5178091
2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136748227
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19208361

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 6142929) is N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C=CCc1ccc(OCC(=O)N/N=C\c2cccc(Br)c2)c(OC)c1.
What is the InChIKey of N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is KDAABRVOJKTMSZ-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c1-3-5-14-8-9-17(18(11-14)24-2)25-13-19(23)22-21-12-15-6-4-7-16(20)10-15/h3-4,6-12H,1,5,13H2,2H3,(H,22,23)/b21-12-.
What are the key properties of N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 403.28 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 6142929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).