N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide

C17H17BrN2O2 — CID 108953594

IUPACN-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide
SMILESCc1ccc(C)c(NC(=O)CC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C17H17BrN2O2/c1-11-7-8-12(2)15(9-11)20-17(22)10-16(21)19-14-6-4-3-5-13(14)18/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyPQDSSMGVUJHBHK-UHFFFAOYSA-N
MW361.24 g/mol
LogP4.03
Rot. Bonds4

About N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide

N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide (PubChem CID 108953594) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide
PubChem CID108953594
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC NameN-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide
SMILESCc1ccc(C)c(NC(=O)CC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C17H17BrN2O2/c1-11-7-8-12(2)15(9-11)20-17(22)10-16(21)19-14-6-4-3-5-13(14)18/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyPQDSSMGVUJHBHK-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.03
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)-2-(2,5-dimethylanilino)acetamide
CID 9079697
N'-(2-bromophenyl)-N-(2,4-dimethylphenyl)propanediamide
CID 108953507
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
2-N-(2-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141632
N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)propanediamide
CID 108955160
[2-(2-bromoanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520073
3-(2-bromo-5-methylanilino)-3-oxopropanoic acid
CID 82758877
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
N-(2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78991426
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
2-(2-bromo-4-methylanilino)-N-(2-methylphenyl)acetamide
CID 42070082
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide
CID 24681693

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide?
The IUPAC name of N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide (CID 108953594) is N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide.
What is the SMILES notation for N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide?
The canonical SMILES for N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide is Cc1ccc(C)c(NC(=O)CC(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide?
The InChIKey is PQDSSMGVUJHBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-11-7-8-12(2)15(9-11)20-17(22)10-16(21)19-14-6-4-3-5-13(14)18/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide?
N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide has a molecular weight of 361.24 g/mol, XLogP of 4.03, 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'-(2,5-dimethylphenyl)propanediamide is sourced from PubChem (CID 108953594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).