N-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide

C20H19Br2N3O3 — CID 4014543

IUPACN-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide
SMILESC=CCOc1ccc(C=NNC(=O)C(C)C(=O)Nc2ccccc2Br)cc1Br
InChIInChI=1S/C20H19Br2N3O3/c1-3-10-28-18-9-8-14(11-16(18)22)12-23-25-20(27)13(2)19(26)24-17-7-5-4-6-15(17)21/h3-9,11-13H,1,10H2,2H3,(H,24,26)(H,25,27)
InChIKeyKFTWPSLDYVQXHT-UHFFFAOYSA-N
MW509.20 g/mol
LogP4.50
Rot. Bonds8

About N-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide

N-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide (PubChem CID 4014543) has the molecular formula C20H19Br2N3O3 and a molecular weight of 509.20 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide
PubChem CID4014543
Molecular FormulaC20H19Br2N3O3
Molecular Weight509.20 g/mol
Exact Mass506.98
IUPAC NameN-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide
SMILESC=CCOc1ccc(C=NNC(=O)C(C)C(=O)Nc2ccccc2Br)cc1Br
InChIInChI=1S/C20H19Br2N3O3/c1-3-10-28-18-9-8-14(11-16(18)22)12-23-25-20(27)13(2)19(26)24-17-7-5-4-6-15(17)21/h3-9,11-13H,1,10H2,2H3,(H,24,26)(H,25,27)
InChIKeyKFTWPSLDYVQXHT-UHFFFAOYSA-N
XLogP4.50
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.20
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide 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-(2-bromophenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylpropanediamide
CID 3487671
N-(2-bromophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-2-methylpropanediamide
CID 3897659
N-(2-bromophenyl)-N'-[(3-methoxy-4-methylphenyl)methylideneamino]-2-methylpropanediamide
CID 5180733
N'-[(3-bromo-4,5-diethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide
CID 3971925
N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 94847093
N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide
CID 5138662
N-(2-bromophenyl)-N'-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-2-methylpropanediamide
CID 3636163
N-(2-bromophenyl)-2-methyl-N'-[(3,4,5-trimethoxyphenyl)methylideneamino]propanediamide
CID 4285375
N'-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide
CID 3875068
[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]urea
CID 71670057
N-(2-bromophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanediamide
CID 3874134
N-(2-bromophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]-2-methylpropanediamide
CID 4619867

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide?
The IUPAC name of N-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide (CID 4014543) is N-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide.
What is the SMILES notation for N-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide?
The canonical SMILES for N-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide is C=CCOc1ccc(C=NNC(=O)C(C)C(=O)Nc2ccccc2Br)cc1Br.
What is the InChIKey of N-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide?
The InChIKey is KFTWPSLDYVQXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Br2N3O3/c1-3-10-28-18-9-8-14(11-16(18)22)12-23-25-20(27)13(2)19(26)24-17-7-5-4-6-15(17)21/h3-9,11-13H,1,10H2,2H3,(H,24,26)(H,25,27).
What are the key properties of N-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide?
N-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide has a molecular weight of 509.20 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide is sourced from PubChem (CID 4014543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).