2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide

C19H20BrClN2O3 — CID 19061551

IUPAC2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C19H20BrClN2O3/c1-3-8-26-19-16(21)9-14(10-17(19)25-2)12-22-23-18(24)11-13-4-6-15(20)7-5-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,23,24)/b22-12+
InChIKeyLSSZLFJTAOKHLJ-WSDLNYQXSA-N
MW439.74 g/mol
LogP4.59
Rot. Bonds8

About 2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide

2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide (PubChem CID 19061551) has the molecular formula C19H20BrClN2O3 and a molecular weight of 439.74 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide
PubChem CID19061551
Molecular FormulaC19H20BrClN2O3
Molecular Weight439.74 g/mol
Exact Mass438.03
IUPAC Name2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C19H20BrClN2O3/c1-3-8-26-19-16(21)9-14(10-17(19)25-2)12-22-23-18(24)11-13-4-6-15(20)7-5-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,23,24)/b22-12+
InChIKeyLSSZLFJTAOKHLJ-WSDLNYQXSA-N
XLogP4.59
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.74
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]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

2-[4-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 19061289
N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515314
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-bromophenyl)acetamide
CID 93066684
4-bromo-N-[(3-chloro-5-methoxy-4-octoxyphenyl)methylideneamino]benzamide
CID 5184959
N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide
CID 8989020
ethyl 2-[2-chloro-4-[(E)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetate
CID 126242616
N-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-(4-bromophenyl)acetamide
CID 19061565
N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)acetamide
CID 110515767
methyl 2-[2-chloro-4-[(E)-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetate
CID 126365946
N-[(E)-(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133144017
[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 19617933
N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8989016

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide (CID 19061551) is 2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide is CCCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC.
What is the InChIKey of 2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide?
The InChIKey is LSSZLFJTAOKHLJ-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H20BrClN2O3/c1-3-8-26-19-16(21)9-14(10-17(19)25-2)12-22-23-18(24)11-13-4-6-15(20)7-5-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,23,24)/b22-12+.
What are the key properties of 2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide?
2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide has a molecular weight of 439.74 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 19061551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).