2-bromo-N-(furan-2-ylmethyl)butanamide

C9H12BrNO2 — CID 25219706

IUPAC2-bromo-N-(furan-2-ylmethyl)butanamide
SMILESCCC(Br)C(=O)NCc1ccco1
InChIInChI=1S/C9H12BrNO2/c1-2-8(10)9(12)11-6-7-4-3-5-13-7/h3-5,8H,2,6H2,1H3,(H,11,12)
InChIKeyYSGKOBRBIUBVRW-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.07
Rot. Bonds4

About 2-bromo-N-(furan-2-ylmethyl)butanamide

2-bromo-N-(furan-2-ylmethyl)butanamide (PubChem CID 25219706) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 2-bromo-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(furan-2-ylmethyl)butanamide
PubChem CID25219706
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name2-bromo-N-(furan-2-ylmethyl)butanamide
SMILESCCC(Br)C(=O)NCc1ccco1
InChIInChI=1S/C9H12BrNO2/c1-2-8(10)9(12)11-6-7-4-3-5-13-7/h3-5,8H,2,6H2,1H3,(H,11,12)
InChIKeyYSGKOBRBIUBVRW-UHFFFAOYSA-N
XLogP2.07
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.07
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

(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
N-(furan-2-ylmethyl)acetamide
CID 2394850
2-bromo-N-[1-(furan-2-yl)ethyl]butanamide
CID 62855564
N-(furan-2-ylmethyl)-2-(hexan-3-ylamino)propanamide
CID 62119494
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide
CID 113494652
2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65217978
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
(2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid
CID 104876319

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 2-bromo-N-(furan-2-ylmethyl)butanamide (CID 25219706) is 2-bromo-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-bromo-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 2-bromo-N-(furan-2-ylmethyl)butanamide is CCC(Br)C(=O)NCc1ccco1.
What is the InChIKey of 2-bromo-N-(furan-2-ylmethyl)butanamide?
The InChIKey is YSGKOBRBIUBVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-2-8(10)9(12)11-6-7-4-3-5-13-7/h3-5,8H,2,6H2,1H3,(H,11,12).
What are the key properties of 2-bromo-N-(furan-2-ylmethyl)butanamide?
2-bromo-N-(furan-2-ylmethyl)butanamide has a molecular weight of 246.10 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 25219706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).