N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide

C14H18BrNO — CID 114315834

IUPACN-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(Br)C1CC1
InChIInChI=1S/C14H18BrNO/c15-13(12-7-8-12)10-16-14(17)9-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,17)
InChIKeyXMIWBURXJKQWOZ-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.91
Rot. Bonds6

About N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide

N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide (PubChem CID 114315834) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide
PubChem CID114315834
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(Br)C1CC1
InChIInChI=1S/C14H18BrNO/c15-13(12-7-8-12)10-16-14(17)9-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,17)
InChIKeyXMIWBURXJKQWOZ-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.91
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-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
N-(2-bromo-4,4-dimethylpentyl)-3-phenylpropanamide
CID 107156726
N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51165684
N-(2-bromo-2-cyclopropylethyl)dodecanamide
CID 114315926
N-(2-cyanopropyl)-3-phenylpropanamide
CID 62651466
N-(2-ethylhexyl)-3-phenylpropanamide
CID 3261802
N-[2-(2-hydroxyethyl)pentyl]-3-phenylpropanamide
CID 103722786
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide
CID 114315773
N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide
CID 60615360
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide (CID 114315834) is N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide is O=C(CCc1ccccc1)NCC(Br)C1CC1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide?
The InChIKey is XMIWBURXJKQWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c15-13(12-7-8-12)10-16-14(17)9-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,17).
What are the key properties of N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide?
N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide has a molecular weight of 296.21 g/mol, XLogP of 2.91, 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-cyclopropylethyl)-3-phenylpropanamide is sourced from PubChem (CID 114315834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).