N-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide

C14H18BrNO — CID 105059964

IUPACN-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NC(C)(CBr)c1ccccc1
InChIInChI=1S/C14H18BrNO/c1-10-8-12(10)13(17)16-14(2,9-15)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,17)
InChIKeyIRDTXZFWELXOBC-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.07
Rot. Bonds4

About N-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide

N-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 105059964) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID105059964
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NC(C)(CBr)c1ccccc1
InChIInChI=1S/C14H18BrNO/c1-10-8-12(10)13(17)16-14(2,9-15)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,17)
InChIKeyIRDTXZFWELXOBC-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.07
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-(1-bromo-2-phenylpropan-2-yl)cycloheptanecarboxamide
CID 105060197
N-(1-bromo-2-phenylpropan-2-yl)-1,4-dioxane-2-carboxamide
CID 105060151
methyl (2S)-2-methyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-2-phenylpropanoate
CID 100676193
N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide
CID 105059845
N-(1-hydroxy-2-phenylpropan-2-yl)-5-methyloxolane-3-carboxamide
CID 105058923
N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 113275566
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
N-(1-bromo-2-phenylpropan-2-yl)-3,5-dimethylbenzamide
CID 105059975
N-(1-bromo-2-phenylpropan-2-yl)octanamide
CID 105059946
2-methyl-N-phenacylcyclopropane-1-carboxamide
CID 64991605
N-(1-bromo-2-phenylpropan-2-yl)-2,4-dimethylbenzamide
CID 105060041
N-(4-hydroxy-2-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 115870127

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide (CID 105059964) is N-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NC(C)(CBr)c1ccccc1.
What is the InChIKey of N-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is IRDTXZFWELXOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-8-12(10)13(17)16-14(2,9-15)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide?
N-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 296.21 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 105059964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).