2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide

C9H12BrNO2 — CID 82109974

IUPAC2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide
SMILESCC(C)(NC(=O)CBr)c1ccco1
InChIInChI=1S/C9H12BrNO2/c1-9(2,11-8(12)6-10)7-4-3-5-13-7/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyNPBDVKANVQKGRK-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.03
Rot. Bonds3

About 2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide

2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide (PubChem CID 82109974) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide
PubChem CID82109974
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide
SMILESCC(C)(NC(=O)CBr)c1ccco1
InChIInChI=1S/C9H12BrNO2/c1-9(2,11-8(12)6-10)7-4-3-5-13-7/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyNPBDVKANVQKGRK-UHFFFAOYSA-N
XLogP2.03
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide
CID 82110423
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
N-[2-(furan-2-yl)propan-2-yl]-2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]acetamide
CID 19971226
2-(furan-2-yl)-2-methylbutanoate
CID 57375081
CID 158971917
CID 158971917
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
2-(furan-2-yl)propan-2-yl 3-methylbutanoate
CID 58845611
(2S)-2-amino-2-(furan-2-yl)propan-1-ol
CID 130605290
2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
CID 63679731
tert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate
CID 83693340
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate
CID 58734392

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide?
The IUPAC name of 2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide (CID 82109974) is 2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide is CC(C)(NC(=O)CBr)c1ccco1.
What is the InChIKey of 2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide?
The InChIKey is NPBDVKANVQKGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-9(2,11-8(12)6-10)7-4-3-5-13-7/h3-5H,6H2,1-2H3,(H,11,12).
What are the key properties of 2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide?
2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide has a molecular weight of 246.10 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(furan-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 82109974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).