2-bromo-N-[1-(furan-2-yl)ethyl]butanamide

C10H14BrNO2 — CID 62855564

IUPAC2-bromo-N-[1-(furan-2-yl)ethyl]butanamide
SMILESCCC(Br)C(=O)NC(C)c1ccco1
InChIInChI=1S/C10H14BrNO2/c1-3-8(11)10(13)12-7(2)9-5-4-6-14-9/h4-8H,3H2,1-2H3,(H,12,13)
InChIKeyCWORVBDIBJIKQQ-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.63
Rot. Bonds4

About 2-bromo-N-[1-(furan-2-yl)ethyl]butanamide

2-bromo-N-[1-(furan-2-yl)ethyl]butanamide (PubChem CID 62855564) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-bromo-N-[1-(furan-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(furan-2-yl)ethyl]butanamide
PubChem CID62855564
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name2-bromo-N-[1-(furan-2-yl)ethyl]butanamide
SMILESCCC(Br)C(=O)NC(C)c1ccco1
InChIInChI=1S/C10H14BrNO2/c1-3-8(11)10(13)12-7(2)9-5-4-6-14-9/h4-8H,3H2,1-2H3,(H,12,13)
InChIKeyCWORVBDIBJIKQQ-UHFFFAOYSA-N
XLogP2.63
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[1-(furan-2-yl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903
3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide
CID 81400789
(2S)-2-amino-N-[1-(furan-2-yl)ethyl]pentanamide
CID 107568236
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706
(2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61154028
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]hexanamide
CID 81399941
2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide
CID 81399560
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
1-[1-(furan-2-yl)ethyl]-3-propylurea
CID 110748894

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(furan-2-yl)ethyl]butanamide?
The IUPAC name of 2-bromo-N-[1-(furan-2-yl)ethyl]butanamide (CID 62855564) is 2-bromo-N-[1-(furan-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-bromo-N-[1-(furan-2-yl)ethyl]butanamide?
The canonical SMILES for 2-bromo-N-[1-(furan-2-yl)ethyl]butanamide is CCC(Br)C(=O)NC(C)c1ccco1.
What is the InChIKey of 2-bromo-N-[1-(furan-2-yl)ethyl]butanamide?
The InChIKey is CWORVBDIBJIKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-3-8(11)10(13)12-7(2)9-5-4-6-14-9/h4-8H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-bromo-N-[1-(furan-2-yl)ethyl]butanamide?
2-bromo-N-[1-(furan-2-yl)ethyl]butanamide has a molecular weight of 260.13 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(furan-2-yl)ethyl]butanamide is sourced from PubChem (CID 62855564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).