5-(bromomethyl)-N,N-diethylfuran-2-carboxamide

C10H14BrNO2 — CID 134860219

IUPAC5-(bromomethyl)-N,N-diethylfuran-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(CBr)o1
InChIInChI=1S/C10H14BrNO2/c1-3-12(4-2)10(13)9-6-5-8(7-11)14-9/h5-6H,3-4,7H2,1-2H3
InChIKeyFCXGJRPYHWKZST-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.66
Rot. Bonds4

About 5-(bromomethyl)-N,N-diethylfuran-2-carboxamide

5-(bromomethyl)-N,N-diethylfuran-2-carboxamide (PubChem CID 134860219) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 5-(bromomethyl)-N,N-diethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(bromomethyl)-N,N-diethylfuran-2-carboxamide
PubChem CID134860219
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name5-(bromomethyl)-N,N-diethylfuran-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(CBr)o1
InChIInChI=1S/C10H14BrNO2/c1-3-12(4-2)10(13)9-6-5-8(7-11)14-9/h5-6H,3-4,7H2,1-2H3
InChIKeyFCXGJRPYHWKZST-UHFFFAOYSA-N
XLogP2.66
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.66
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

5-benzoyl-N,N-diethylfuran-2-carboxamide
CID 692790
N-ethyl-5-(methoxymethyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 86926941
N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 115771226
5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide
CID 80660635
2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid
CID 61013161
5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide
CID 102993497
5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid
CID 75356028
N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide
CID 114263891
5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide
CID 21269978
N,N-diethyl-5-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
CID 42786202
2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
CID 54898860
N-ethyl-5-(methoxymethyl)-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 78852716

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N,N-diethylfuran-2-carboxamide?
The IUPAC name of 5-(bromomethyl)-N,N-diethylfuran-2-carboxamide (CID 134860219) is 5-(bromomethyl)-N,N-diethylfuran-2-carboxamide.
What is the SMILES notation for 5-(bromomethyl)-N,N-diethylfuran-2-carboxamide?
The canonical SMILES for 5-(bromomethyl)-N,N-diethylfuran-2-carboxamide is CCN(CC)C(=O)c1ccc(CBr)o1.
What is the InChIKey of 5-(bromomethyl)-N,N-diethylfuran-2-carboxamide?
The InChIKey is FCXGJRPYHWKZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-3-12(4-2)10(13)9-6-5-8(7-11)14-9/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 5-(bromomethyl)-N,N-diethylfuran-2-carboxamide?
5-(bromomethyl)-N,N-diethylfuran-2-carboxamide has a molecular weight of 260.13 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N,N-diethylfuran-2-carboxamide is sourced from PubChem (CID 134860219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).