N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide

C13H18BrNO — CID 4271588

IUPACN-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO/c1-13(2,3)12(16)15-9-8-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyRFSVCAULYXKUNT-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.15
Rot. Bonds3

About N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide

N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide (PubChem CID 4271588) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide
PubChem CID4271588
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO/c1-13(2,3)12(16)15-9-8-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyRFSVCAULYXKUNT-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119549524
N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride
CID 119549666
N-[2-(4-bromophenyl)ethyl]-3-oxobutanamide
CID 115176509
4-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]ethyl]benzoic acid
CID 75415241
1-[2-(4-bromophenyl)ethyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108902376
(E)-N-[2-(4-bromophenyl)ethyl]but-2-enamide
CID 110478022
N-[2-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111230275
N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide
CID 115172450
N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide
CID 115139262
1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910473
2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 116816881
1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189921

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide (CID 4271588) is N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is RFSVCAULYXKUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-13(2,3)12(16)15-9-8-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide?
N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 284.20 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 4271588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).