N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide

C13H18BrNO — CID 114315470

IUPACN-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(Br)c1ccccc1NC(=O)C(C)(C)C
InChIInChI=1S/C13H18BrNO/c1-9(14)10-7-5-6-8-11(10)15-12(16)13(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKeyZQLWSYZIEJLLGS-UHFFFAOYSA-N
MW284.20 g/mol
LogP4.13
Rot. Bonds2

About N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide

N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 114315470) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
PubChem CID114315470
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(Br)c1ccccc1NC(=O)C(C)(C)C
InChIInChI=1S/C13H18BrNO/c1-9(14)10-7-5-6-8-11(10)15-12(16)13(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKeyZQLWSYZIEJLLGS-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106894275
2,2-dimethyl-N-[2-[phenyl(sulfanyl)methyl]phenyl]propanamide
CID 10828026
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315539
2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide
CID 177388876
N-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide
CID 15274526
2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide
CID 15274530
4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide
CID 114315538
N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide
CID 114315425
N-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide
CID 112745152
N-[2-(1-bromoethyl)phenyl]-2,4,6-trimethylbenzamide
CID 114315452
N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide
CID 114315653

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide (CID 114315470) is N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide is CC(Br)c1ccccc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is ZQLWSYZIEJLLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(14)10-7-5-6-8-11(10)15-12(16)13(2,3)4/h5-9H,1-4H3,(H,15,16).
What are the key properties of N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide?
N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 284.20 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 114315470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).