N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide

C17H16BrClN2O2 — CID 108968886

IUPACN-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1Br
InChIInChI=1S/C17H16BrClN2O2/c1-17(2,15(22)20-13-9-5-3-7-11(13)18)16(23)21-14-10-6-4-8-12(14)19/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyKRGCZNJAJSCEIK-UHFFFAOYSA-N
MW395.68 g/mol
LogP4.71
Rot. Bonds4

About N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide

N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108968886) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
PubChem CID108968886
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC NameN-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1Br
InChIInChI=1S/C17H16BrClN2O2/c1-17(2,15(22)20-13-9-5-3-7-11(13)18)16(23)21-14-10-6-4-8-12(14)19/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyKRGCZNJAJSCEIK-UHFFFAOYSA-N
XLogP4.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 54.71
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-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108965988
N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108968895
N-(4-acetylphenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968875
N'-(5-chloro-2-methylphenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968853
N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108968862
N-(2-chlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62835426
N-(2-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968904
N'-(3-chloro-4-fluorophenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968856
N-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108968909
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide
CID 3277317
3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
CID 109037837

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide (CID 108968886) is N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is KRGCZNJAJSCEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c1-17(2,15(22)20-13-9-5-3-7-11(13)18)16(23)21-14-10-6-4-8-12(14)19/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide?
N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 395.68 g/mol, XLogP of 4.71, 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-chlorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108968886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).