N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide

C16H15BrN2O2 — CID 108952966

IUPACN'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C16H15BrN2O2/c1-11-6-2-4-8-13(11)18-15(20)10-16(21)19-14-9-5-3-7-12(14)17/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyUMJVKUIDOGVWGX-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.72
Rot. Bonds4

About N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide

N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide (PubChem CID 108952966) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
PubChem CID108952966
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC NameN'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C16H15BrN2O2/c1-11-6-2-4-8-13(11)18-15(20)10-16(21)19-14-9-5-3-7-12(14)17/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyUMJVKUIDOGVWGX-UHFFFAOYSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide
CID 108953594
N'-(2-bromophenyl)-N-(2,4-dimethylphenyl)propanediamide
CID 108953507
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952910
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079697
N-(2-bromophenyl)butanamide
CID 732405
3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
CID 28942474
N-(2-bromophenyl)-2-isocyanoacetamide
CID 108814850
[2-(2-bromoanilino)-2-oxoethyl]-methylazanium
CID 2414095
N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide
CID 108952924

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide?
The IUPAC name of N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide (CID 108952966) is N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide.
What is the SMILES notation for N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide?
The canonical SMILES for N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide is Cc1ccccc1NC(=O)CC(=O)Nc1ccccc1Br.
What is the InChIKey of N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide?
The InChIKey is UMJVKUIDOGVWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-11-6-2-4-8-13(11)18-15(20)10-16(21)19-14-9-5-3-7-12(14)17/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide?
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide has a molecular weight of 347.21 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide is sourced from PubChem (CID 108952966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).