2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide

C15H20BrNO — CID 70559701

IUPAC2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide
SMILESCC(C)(C)N(C(=O)CBr)C1CC1c1ccccc1
InChIInChI=1S/C15H20BrNO/c1-15(2,3)17(14(18)10-16)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3
InChIKeyFVYPZGSTAGVDGA-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.56
Rot. Bonds3

About 2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide

2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide (PubChem CID 70559701) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide
PubChem CID70559701
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide
SMILESCC(C)(C)N(C(=O)CBr)C1CC1c1ccccc1
InChIInChI=1S/C15H20BrNO/c1-15(2,3)17(14(18)10-16)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3
InChIKeyFVYPZGSTAGVDGA-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-bromophenyl)cyclopropyl]-tert-butylcarbamic acid
CID 67320053
tert-butyl-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamic acid
CID 67064765
tert-butyl-[(3S,4R)-4-phenylpyrrolidin-3-yl]carbamic acid
CID 71014333
[2-[4-[(3-benzamidobenzoyl)amino]phenyl]cyclopropyl]-tert-butylcarbamic acid
CID 90331707
tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486468
N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide
CID 154193937
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
CID 155265703
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate
CID 134861468
tert-butyl N-(azetidin-3-ylmethyl)-N-[(2S)-2-phenylcyclopropyl]carbamate
CID 130199105
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
N-methyl-N-(2-phenylcyclopropyl)but-2-ynamide
CID 146083708

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide?
The IUPAC name of 2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide (CID 70559701) is 2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide.
What is the SMILES notation for 2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide?
The canonical SMILES for 2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide is CC(C)(C)N(C(=O)CBr)C1CC1c1ccccc1.
What is the InChIKey of 2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide?
The InChIKey is FVYPZGSTAGVDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-15(2,3)17(14(18)10-16)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3.
What are the key properties of 2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide?
2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide has a molecular weight of 310.24 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide is sourced from PubChem (CID 70559701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).