N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide

C10H12BrF2NO2 — CID 107491884

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(CCBr)CC(F)F
InChIInChI=1S/C10H12BrF2NO2/c1-7-8(2-5-16-7)10(15)14(4-3-11)6-9(12)13/h2,5,9H,3-4,6H2,1H3
InChIKeyFWZSSUCCFNNGRE-UHFFFAOYSA-N
MW296.11 g/mol
LogP2.69
Rot. Bonds5

About N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide (PubChem CID 107491884) has the molecular formula C10H12BrF2NO2 and a molecular weight of 296.11 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide
PubChem CID107491884
Molecular FormulaC10H12BrF2NO2
Molecular Weight296.11 g/mol
Exact Mass295.00
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(CCBr)CC(F)F
InChIInChI=1S/C10H12BrF2NO2/c1-7-8(2-5-16-7)10(15)14(4-3-11)6-9(12)13/h2,5,9H,3-4,6H2,1H3
InChIKeyFWZSSUCCFNNGRE-UHFFFAOYSA-N
XLogP2.69
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 52.69
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

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-methylfuran-2-carboxamide
CID 107491528
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-hydroxy-2-methylbenzamide
CID 107491853
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxy-5-methylbenzamide
CID 107491889
N-(2-bromoethyl)-2-methyl-N-pentan-3-ylfuran-3-carboxamide
CID 80670864
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-5-ethylthiophene-2-carboxamide
CID 107491880
2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide
CID 107491527
4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide
CID 107491830
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide
CID 107491529
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxy-3-methoxybenzamide
CID 107491724
N-(2-aminopropyl)-N,2-dimethylfuran-3-carboxamide
CID 63755935
N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide
CID 107491837
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4,5-dimethylthiophene-2-carboxamide
CID 107491841

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide (CID 107491884) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N(CCBr)CC(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide?
The InChIKey is FWZSSUCCFNNGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO2/c1-7-8(2-5-16-7)10(15)14(4-3-11)6-9(12)13/h2,5,9H,3-4,6H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide has a molecular weight of 296.11 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 107491884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).