N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide

C17H24BrNO — CID 114308467

IUPACN-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)NCC(Br)c1ccccc1
InChIInChI=1S/C17H24BrNO/c18-16(15-9-5-2-6-10-15)13-19-17(20)12-11-14-7-3-1-4-8-14/h2,5-6,9-10,14,16H,1,3-4,7-8,11-13H2,(H,19,20)
InChIKeyNVDFHEZXJPRFKU-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.60
Rot. Bonds6

About N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide

N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide (PubChem CID 114308467) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide
PubChem CID114308467
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)NCC(Br)c1ccccc1
InChIInChI=1S/C17H24BrNO/c18-16(15-9-5-2-6-10-15)13-19-17(20)12-11-14-7-3-1-4-8-14/h2,5-6,9-10,14,16H,1,3-4,7-8,11-13H2,(H,19,20)
InChIKeyNVDFHEZXJPRFKU-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.60
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

3-cyclohexyl-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391299
N-(2-chloro-2-phenylethyl)-3-cyclohexylpropanamide
CID 114296062
N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide
CID 113274135
3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid
CID 119114013
3-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 103772689
3-cyclopentyl-N-[2-methoxy-2-(2-methylphenyl)ethyl]propanamide
CID 90598691
3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid
CID 66164999
3-cyclopentyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888869
3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide
CID 47082069
N-(3-bromo-2-methylpropyl)-3-cyclohexylpropanamide
CID 114313527
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
3-cyclopentyl-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889267

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide?
The IUPAC name of N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide (CID 114308467) is N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)NCC(Br)c1ccccc1.
What is the InChIKey of N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide?
The InChIKey is NVDFHEZXJPRFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c18-16(15-9-5-2-6-10-15)13-19-17(20)12-11-14-7-3-1-4-8-14/h2,5-6,9-10,14,16H,1,3-4,7-8,11-13H2,(H,19,20).
What are the key properties of N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide?
N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide has a molecular weight of 338.29 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide is sourced from PubChem (CID 114308467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).