N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide

C15H16BrNO3 — CID 106853333

IUPACN-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1ccoc1Br
InChIInChI=1S/C15H16BrNO3/c1-19-10-8-17(11-12-5-3-2-4-6-12)15(18)13-7-9-20-14(13)16/h2-7,9H,8,10-11H2,1H3
InChIKeyKHCUJPIZSWTFPF-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.33
Rot. Bonds6

About N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide

N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide (PubChem CID 106853333) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide
PubChem CID106853333
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC NameN-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1ccoc1Br
InChIInChI=1S/C15H16BrNO3/c1-19-10-8-17(11-12-5-3-2-4-6-12)15(18)13-7-9-20-14(13)16/h2-7,9H,8,10-11H2,1H3
InChIKeyKHCUJPIZSWTFPF-UHFFFAOYSA-N
XLogP3.33
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide
CID 107365685
N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide
CID 106852447
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42773009
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide
CID 134028335
N-benzyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773023
N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide
CID 103515233
N-benzyl-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028376
4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide
CID 61114080
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 42773017
methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate
CID 106853790
N-benzyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79205106

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide?
The IUPAC name of N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide (CID 106853333) is N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide.
What is the SMILES notation for N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide?
The canonical SMILES for N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide is COCCN(Cc1ccccc1)C(=O)c1ccoc1Br.
What is the InChIKey of N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide?
The InChIKey is KHCUJPIZSWTFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-19-10-8-17(11-12-5-3-2-4-6-12)15(18)13-7-9-20-14(13)16/h2-7,9H,8,10-11H2,1H3.
What are the key properties of N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide?
N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide has a molecular weight of 338.20 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide is sourced from PubChem (CID 106853333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).