N-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide

C15H20BrNO — CID 107184155

IUPACN-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NC(CBr)c1ccccc1
InChIInChI=1S/C15H20BrNO/c1-11-6-5-9-13(11)15(18)17-14(10-16)12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3,(H,17,18)
InChIKeyXUCJMPDKUYFGSV-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.67
Rot. Bonds4

About N-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide

N-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide (PubChem CID 107184155) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide
PubChem CID107184155
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NC(CBr)c1ccccc1
InChIInChI=1S/C15H20BrNO/c1-11-6-5-9-13(11)15(18)17-14(10-16)12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3,(H,17,18)
InChIKeyXUCJMPDKUYFGSV-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.67
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-bromo-1-phenylethyl)cyclopropanecarboxamide
CID 114311037
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylcyclopentane-1-carboxamide
CID 107178672
2-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107862038
N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide
CID 107180698
N-(2-bromo-1-phenylethyl)-1,1-dioxothiane-2-carboxamide
CID 104522404
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
ethane;(1R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143679818
[(1R)-2-bromo-1-phenylethyl]carbamic acid
CID 146309654
cis-(1S,2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143706762
N-(1,3-diphenylpropyl)-2-methylcyclopropane-1-carboxamide
CID 56796182
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide
CID 107067392

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide (CID 107184155) is N-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)NC(CBr)c1ccccc1.
What is the InChIKey of N-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide?
The InChIKey is XUCJMPDKUYFGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11-6-5-9-13(11)15(18)17-14(10-16)12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3,(H,17,18).
What are the key properties of N-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide?
N-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide has a molecular weight of 310.23 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107184155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).