2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide

C11H15BrClNO2 — CID 106856134

IUPAC2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide
SMILESCCC(CC)(CCl)NC(=O)c1ccoc1Br
InChIInChI=1S/C11H15BrClNO2/c1-3-11(4-2,7-13)14-10(15)8-5-6-16-9(8)12/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyGWUUIACTOPPSHF-UHFFFAOYSA-N
MW308.60 g/mol
LogP3.57
Rot. Bonds5

About 2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide

2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide (PubChem CID 106856134) has the molecular formula C11H15BrClNO2 and a molecular weight of 308.60 g/mol. Its IUPAC name is 2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide
PubChem CID106856134
Molecular FormulaC11H15BrClNO2
Molecular Weight308.60 g/mol
Exact Mass307.00
IUPAC Name2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide
SMILESCCC(CC)(CCl)NC(=O)c1ccoc1Br
InChIInChI=1S/C11H15BrClNO2/c1-3-11(4-2,7-13)14-10(15)8-5-6-16-9(8)12/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyGWUUIACTOPPSHF-UHFFFAOYSA-N
XLogP3.57
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.60
LogP ≤ 53.57
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

2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide
CID 106856236
4-bromo-N-[1-chloro-2-(chloromethyl)butan-2-yl]benzamide
CID 107867592
2-chloro-N-[3-(chloromethyl)pentan-3-yl]benzamide
CID 114304558
3-bromo-N-[3-(chloromethyl)pentan-3-yl]benzamide
CID 114304614
5-bromo-N-[3-(chloromethyl)pentan-3-yl]-2-fluorobenzamide
CID 113273352
N-[3-(chloromethyl)pentan-3-yl]-2-ethylbenzamide
CID 114304484
N-[3-(chloromethyl)pentan-3-yl]-1-benzofuran-3-carboxamide
CID 113273354
2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide
CID 106898975
2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide
CID 106856184
N-[3-(chloromethyl)pentan-3-yl]-2,3,4-trifluorobenzamide
CID 114304552
2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide
CID 106854194
5-bromo-N-[3-(chloromethyl)pentan-3-yl]thiophene-3-carboxamide
CID 107966069

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide (CID 106856134) is 2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide is CCC(CC)(CCl)NC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide?
The InChIKey is GWUUIACTOPPSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2/c1-3-11(4-2,7-13)14-10(15)8-5-6-16-9(8)12/h5-6H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide?
2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide has a molecular weight of 308.60 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide is sourced from PubChem (CID 106856134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).