3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide

C15H17BrN2O2 — CID 62877834

IUPAC3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide
SMILESCN(Cc1ccc(Br)o1)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C15H17BrN2O2/c1-18(10-12-7-8-14(16)20-12)15(19)13(9-17)11-5-3-2-4-6-11/h2-8,13H,9-10,17H2,1H3
InChIKeyYSWWVINQPXNZDF-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.74
Rot. Bonds5

About 3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide

3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide (PubChem CID 62877834) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide
PubChem CID62877834
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide
SMILESCN(Cc1ccc(Br)o1)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C15H17BrN2O2/c1-18(10-12-7-8-14(16)20-12)15(19)13(9-17)11-5-3-2-4-6-11/h2-8,13H,9-10,17H2,1H3
InChIKeyYSWWVINQPXNZDF-UHFFFAOYSA-N
XLogP2.74
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 62878878
3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331
(2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61165317
2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide
CID 65227055
3-amino-4-[(5-bromofuran-2-yl)methyl-methylamino]-4-oxobutanoic acid
CID 64896124
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide
CID 62878721
3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
CID 62877301
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
N-[(5-bromofuran-2-yl)methyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide
CID 56573025
N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide
CID 86984192
2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide
CID 54873405

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide (CID 62877834) is 3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide is CN(Cc1ccc(Br)o1)C(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide?
The InChIKey is YSWWVINQPXNZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-18(10-12-7-8-14(16)20-12)15(19)13(9-17)11-5-3-2-4-6-11/h2-8,13H,9-10,17H2,1H3.
What are the key properties of 3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide?
3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide has a molecular weight of 337.22 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 62877834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).