N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide

C17H17BrN2O3 — CID 108955636

IUPACN'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H17BrN2O3/c1-11-9-12(18)3-8-15(11)20-17(22)10-16(21)19-13-4-6-14(23-2)7-5-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyYGHXJWXLAMFPAC-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.73
Rot. Bonds5

About N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide

N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide (PubChem CID 108955636) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide
PubChem CID108955636
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H17BrN2O3/c1-11-9-12(18)3-8-15(11)20-17(22)10-16(21)19-13-4-6-14(23-2)7-5-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyYGHXJWXLAMFPAC-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)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-(4-methoxyphenyl)oxamide
CID 108502691
N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871519
N'-(4-bromo-2-methylphenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108956666
N-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 3360808
2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide
CID 27781318
[2-(4-bromo-2-methylanilino)-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7861391
1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 43806631
2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 40883287
N-(4-bromo-2-methylphenyl)-2-[3-(4-methoxyphenyl)propylcarbamoylamino]acetamide
CID 55912206
N-(4-methoxyphenyl)-3-oxobutanamide;N-(2-methylphenyl)-3-oxobutanamide
CID 121282896
N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947082
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide?
The IUPAC name of N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide (CID 108955636) is N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide.
What is the SMILES notation for N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide?
The canonical SMILES for N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide is COc1ccc(NC(=O)CC(=O)Nc2ccc(Br)cc2C)cc1.
What is the InChIKey of N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide?
The InChIKey is YGHXJWXLAMFPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11-9-12(18)3-8-15(11)20-17(22)10-16(21)19-13-4-6-14(23-2)7-5-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide?
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide has a molecular weight of 377.24 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide is sourced from PubChem (CID 108955636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).