N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide

C19H19Br2N3O4 — CID 5138662

IUPACN'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide
SMILESCOc1cc(C=NNC(=O)C(C)C(=O)Nc2ccccc2Br)cc(Br)c1OC
InChIInChI=1S/C19H19Br2N3O4/c1-11(18(25)23-15-7-5-4-6-13(15)20)19(26)24-22-10-12-8-14(21)17(28-3)16(9-12)27-2/h4-11H,1-3H3,(H,23,25)(H,24,26)
InChIKeyAYERGLNVZGJXJV-UHFFFAOYSA-N
MW513.19 g/mol
LogP3.95
Rot. Bonds7

About N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide

N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide (PubChem CID 5138662) has the molecular formula C19H19Br2N3O4 and a molecular weight of 513.19 g/mol. Its IUPAC name is N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide.

Molecular Properties

Compound NameN'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide
PubChem CID5138662
Molecular FormulaC19H19Br2N3O4
Molecular Weight513.19 g/mol
Exact Mass510.97
IUPAC NameN'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide
SMILESCOc1cc(C=NNC(=O)C(C)C(=O)Nc2ccccc2Br)cc(Br)c1OC
InChIInChI=1S/C19H19Br2N3O4/c1-11(18(25)23-15-7-5-4-6-13(15)20)19(26)24-22-10-12-8-14(21)17(28-3)16(9-12)27-2/h4-11H,1-3H3,(H,23,25)(H,24,26)
InChIKeyAYERGLNVZGJXJV-UHFFFAOYSA-N
XLogP3.95
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.19
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-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)-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
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'-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-2-methylpropanediamide
CID 3636163
N-(2-bromophenyl)-N'-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylpropanediamide
CID 4311948
N-(2-bromophenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylpropanediamide
CID 3487671
N-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide
CID 4014543
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
CID 19208314
N-(2-bromophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-2-methylpropanediamide
CID 3897659
N-(anthracen-9-ylmethylideneamino)-N'-(2-bromophenyl)-2-methylpropanediamide
CID 5224979
N-(2-bromophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanediamide
CID 3874134

Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide?
The IUPAC name of N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide (CID 5138662) is N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide.
What is the SMILES notation for N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide?
The canonical SMILES for N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide is COc1cc(C=NNC(=O)C(C)C(=O)Nc2ccccc2Br)cc(Br)c1OC.
What is the InChIKey of N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide?
The InChIKey is AYERGLNVZGJXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2N3O4/c1-11(18(25)23-15-7-5-4-6-13(15)20)19(26)24-22-10-12-8-14(21)17(28-3)16(9-12)27-2/h4-11H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide?
N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide has a molecular weight of 513.19 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide is sourced from PubChem (CID 5138662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).