2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide

C17H17BrN2O2 — CID 6167380

IUPAC2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
SMILESCc1ccc(/C=N\NC(=O)C(C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O2/c1-12-3-5-14(6-4-12)11-19-20-17(21)13(2)22-16-9-7-15(18)8-10-16/h3-11,13H,1-2H3,(H,20,21)/b19-11-
InChIKeyPTTSXPZHINUDJL-ODLFYWEKSA-N
MW361.24 g/mol
LogP3.68
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide

2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide (PubChem CID 6167380) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
PubChem CID6167380
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
SMILESCc1ccc(/C=N\NC(=O)C(C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O2/c1-12-3-5-14(6-4-12)11-19-20-17(21)13(2)22-16-9-7-15(18)8-10-16/h3-11,13H,1-2H3,(H,20,21)/b19-11-
InChIKeyPTTSXPZHINUDJL-ODLFYWEKSA-N
XLogP3.68
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.68
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'}

Analyze 2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide 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

(2R)-2-(4-bromophenoxy)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136766953
2-(4-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135659445
N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide
CID 19165293
N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide
CID 17169215
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide
CID 903054
2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 2853248
(2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide
CID 1014694
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949
(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide
CID 1039690
(2S)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylphenoxy)propanamide
CID 5449938
(2S)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylphenoxy)propanamide
CID 39911228
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide (CID 6167380) is 2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide is Cc1ccc(/C=N\NC(=O)C(C)Oc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide?
The InChIKey is PTTSXPZHINUDJL-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-12-3-5-14(6-4-12)11-19-20-17(21)13(2)22-16-9-7-15(18)8-10-16/h3-11,13H,1-2H3,(H,20,21)/b19-11-.
What are the key properties of 2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide?
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide has a molecular weight of 361.24 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide is sourced from PubChem (CID 6167380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).