N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide

C17H17BrN2O3 — CID 108946963

IUPACN'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O3/c1-23-15-8-3-2-5-12(15)11-19-16(21)10-17(22)20-14-7-4-6-13(18)9-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyUPSANAXSRSYMJB-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.10
Rot. Bonds6

About N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide

N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide (PubChem CID 108946963) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
PubChem CID108946963
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O3/c1-23-15-8-3-2-5-12(15)11-19-16(21)10-17(22)20-14-7-4-6-13(18)9-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyUPSANAXSRSYMJB-UHFFFAOYSA-N
XLogP3.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide 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'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946965
N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946916
N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025458
[2-(3-bromoanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871124
3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 26776021
2-methoxy-N-[3-[(2-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38216887
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
N-(3-hydroxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 43082666
N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946915
N-(3-bromophenyl)-2-(2-methylphenyl)acetamide
CID 24705879
N-(4-bromophenyl)-2-(2-methoxyphenyl)acetamide
CID 2263112

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The IUPAC name of N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide (CID 108946963) is N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The canonical SMILES for N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide is COc1ccccc1CNC(=O)CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The InChIKey is UPSANAXSRSYMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-23-15-8-3-2-5-12(15)11-19-16(21)10-17(22)20-14-7-4-6-13(18)9-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide has a molecular weight of 377.24 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide is sourced from PubChem (CID 108946963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).