N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide

C17H17BrN2O2 — CID 108967157

IUPACN'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
SMILESCC(C)(C(=O)Nc1ccccc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O2/c1-17(2,15(21)19-13-6-4-3-5-7-13)16(22)20-14-10-8-12(18)9-11-14/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyLUSBNSDNGURQRR-UHFFFAOYSA-N
MW361.24 g/mol
LogP4.05
Rot. Bonds4

About N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide

N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide (PubChem CID 108967157) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
PubChem CID108967157
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC NameN'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
SMILESCC(C)(C(=O)Nc1ccccc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O2/c1-17(2,15(21)19-13-6-4-3-5-7-13)16(22)20-14-10-8-12(18)9-11-14/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyLUSBNSDNGURQRR-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
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

4'-Bromoacetanilide
CID 7683
Malonanilide
CID 69298
2-Butenamide, N-(4-bromophenyl)-3-methyl-
CID 532095
n-(4-Bromophenyl)prop-2-enamide
CID 263609
N-(4-Bromophenyl)-2,2-dimethylpropanamide
CID 520094
Propanamide, N-(4-bromophenyl)-2-methyl-
CID 532135
2-Methyl-N,N'-diphenyl-malonamide
CID 832561
Bromamid
CID 68839
3'-Bromopropionanilide
CID 806279
N-(4-Bromophenyl)-3-oxobutanamide
CID 598820
N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 772966
N-(4-Bromophenyl)propionamide
CID 346184

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide?
The IUPAC name of N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide (CID 108967157) is N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide.
What is the SMILES notation for N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide?
The canonical SMILES for N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide is CC(C)(C(=O)Nc1ccccc1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide?
The InChIKey is LUSBNSDNGURQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-17(2,15(21)19-13-6-4-3-5-7-13)16(22)20-14-10-8-12(18)9-11-14/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide?
N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide has a molecular weight of 361.24 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide is sourced from PubChem (CID 108967157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).