N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide

C15H21BrN2O2 — CID 108965727

IUPACN-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
SMILESCCN(CC)C(=O)C(C)(C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-5-18(6-2)14(20)15(3,4)13(19)17-12-9-7-11(16)8-10-12/h7-10H,5-6H2,1-4H3,(H,17,19)
InChIKeyUCRHXSIPYMTVFR-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.28
Rot. Bonds5

About N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide

N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide (PubChem CID 108965727) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
PubChem CID108965727
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
SMILESCCN(CC)C(=O)C(C)(C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-5-18(6-2)14(20)15(3,4)13(19)17-12-9-7-11(16)8-10-12/h7-10H,5-6H2,1-4H3,(H,17,19)
InChIKeyUCRHXSIPYMTVFR-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
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
3-(4-Bromophenyl)-1,1-diethylurea
CID 735609
2-Butenamide, N-(4-bromophenyl)-3-methyl-
CID 532095
N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 687138
N-(4-Bromophenyl)-2,2-dimethylpropanamide
CID 520094
Propanamide, N-(4-bromophenyl)-2-methyl-
CID 532135
N-(4-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 1149581
2-amino-N-(4-bromophenyl)acetamide
CID 871334
Bromamid
CID 68839
N-(4-Bromophenyl)-2-(1-piperidinyl)acetamide
CID 326998
N-(4-Bromophenyl)-3-oxobutanamide
CID 598820
N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 16195210

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide (CID 108965727) is N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide is CCN(CC)C(=O)C(C)(C)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide?
The InChIKey is UCRHXSIPYMTVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-5-18(6-2)14(20)15(3,4)13(19)17-12-9-7-11(16)8-10-12/h7-10H,5-6H2,1-4H3,(H,17,19).
What are the key properties of N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide?
N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide has a molecular weight of 341.25 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide is sourced from PubChem (CID 108965727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).