N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide

C16H14BrClN2O2 — CID 3367043

IUPACN-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
SMILESCC(=NNC(=O)COc1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrClN2O2/c1-11(12-6-8-13(17)9-7-12)19-20-16(21)10-22-15-5-3-2-4-14(15)18/h2-9H,10H2,1H3,(H,20,21)
InChIKeyNIKBZFHNBOGIPS-UHFFFAOYSA-N
MW381.66 g/mol
LogP4.02
Rot. Bonds5

About N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide

N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide (PubChem CID 3367043) has the molecular formula C16H14BrClN2O2 and a molecular weight of 381.66 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
PubChem CID3367043
Molecular FormulaC16H14BrClN2O2
Molecular Weight381.66 g/mol
Exact Mass379.99
IUPAC NameN-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
SMILESCC(=NNC(=O)COc1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrClN2O2/c1-11(12-6-8-13(17)9-7-12)19-20-16(21)10-22-15-5-3-2-4-14(15)18/h2-9H,10H2,1H3,(H,20,21)
InChIKeyNIKBZFHNBOGIPS-UHFFFAOYSA-N
XLogP4.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 54.02
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 N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)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-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 5416756
2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 4632189
2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 9255870
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6054821
2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 4553422
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1354153
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide
CID 9315307
2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 3468088
N-[1-(3-bromophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3694594
2-(2-bromo-4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 4926099

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide (CID 3367043) is N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide is CC(=NNC(=O)COc1ccccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide?
The InChIKey is NIKBZFHNBOGIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O2/c1-11(12-6-8-13(17)9-7-12)19-20-16(21)10-22-15-5-3-2-4-14(15)18/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide?
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide has a molecular weight of 381.66 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 3367043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).