2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide

C11H13Br2NO2 — CID 106856232

IUPAC2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide
SMILESO=C(NCC1(CCBr)CC1)c1ccoc1Br
InChIInChI=1S/C11H13Br2NO2/c12-5-4-11(2-3-11)7-14-10(15)8-1-6-16-9(8)13/h1,6H,2-5,7H2,(H,14,15)
InChIKeyRJZAADIVXKDYEY-UHFFFAOYSA-N
MW351.04 g/mol
LogP3.34
Rot. Bonds5

About 2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide

2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide (PubChem CID 106856232) has the molecular formula C11H13Br2NO2 and a molecular weight of 351.04 g/mol. Its IUPAC name is 2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide
PubChem CID106856232
Molecular FormulaC11H13Br2NO2
Molecular Weight351.04 g/mol
Exact Mass348.93
IUPAC Name2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide
SMILESO=C(NCC1(CCBr)CC1)c1ccoc1Br
InChIInChI=1S/C11H13Br2NO2/c12-5-4-11(2-3-11)7-14-10(15)8-1-6-16-9(8)13/h1,6H,2-5,7H2,(H,14,15)
InChIKeyRJZAADIVXKDYEY-UHFFFAOYSA-N
XLogP3.34
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 53.34
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

N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorofuran-3-carboxamide
CID 106690207
2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide
CID 106854397
5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide
CID 114758312
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methylfuran-2-carboxamide
CID 114758325
3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114758209
2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-5-chlorobenzamide
CID 114026599
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-fluorobenzamide
CID 114758444
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677755
N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
CID 114758301
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-chloro-2-methylbenzamide
CID 107100287
2-bromo-N-(2-chloro-3-methylbutyl)furan-3-carboxamide
CID 106856206
2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 106687086

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide (CID 106856232) is 2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide is O=C(NCC1(CCBr)CC1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide?
The InChIKey is RJZAADIVXKDYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO2/c12-5-4-11(2-3-11)7-14-10(15)8-1-6-16-9(8)13/h1,6H,2-5,7H2,(H,14,15).
What are the key properties of 2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide?
2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide has a molecular weight of 351.04 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 106856232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).