2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide

C9H11Br2NO2 — CID 106441118

IUPAC2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide
SMILESCN(CCCBr)C(=O)c1ccoc1Br
InChIInChI=1S/C9H11Br2NO2/c1-12(5-2-4-10)9(13)7-3-6-14-8(7)11/h3,6H,2,4-5H2,1H3
InChIKeyWFMBFHDIKQUFIM-UHFFFAOYSA-N
MW325.00 g/mol
LogP2.90
Rot. Bonds4

About 2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide

2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide (PubChem CID 106441118) has the molecular formula C9H11Br2NO2 and a molecular weight of 325.00 g/mol. Its IUPAC name is 2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide
PubChem CID106441118
Molecular FormulaC9H11Br2NO2
Molecular Weight325.00 g/mol
Exact Mass322.92
IUPAC Name2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide
SMILESCN(CCCBr)C(=O)c1ccoc1Br
InChIInChI=1S/C9H11Br2NO2/c1-12(5-2-4-10)9(13)7-3-6-14-8(7)11/h3,6H,2,4-5H2,1H3
InChIKeyWFMBFHDIKQUFIM-UHFFFAOYSA-N
XLogP2.90
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.00
LogP ≤ 52.90
H-Bond Donors ≤ 50
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-(cyanomethyl)-N-methylfuran-3-carboxamide
CID 106852111
2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide
CID 106853383
N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide
CID 106689914
2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide
CID 106441224
2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylfuran-3-carboxamide
CID 106854337
2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide
CID 106852639
2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide
CID 106853533
2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide
CID 106852493
2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
CID 106852279
2-bromo-N-cyano-N-methylfuran-3-carboxamide
CID 130615092
2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106853584
2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
CID 106853464

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide?
The IUPAC name of 2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide (CID 106441118) is 2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide?
The canonical SMILES for 2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide is CN(CCCBr)C(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide?
The InChIKey is WFMBFHDIKQUFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NO2/c1-12(5-2-4-10)9(13)7-3-6-14-8(7)11/h3,6H,2,4-5H2,1H3.
What are the key properties of 2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide?
2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide has a molecular weight of 325.00 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide is sourced from PubChem (CID 106441118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).