2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide

C15H17BrN2O2 — CID 43720757

IUPAC2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(NCc2ccc(Br)o2)cc1
InChIInChI=1S/C15H17BrN2O2/c1-18(2)15(19)9-11-3-5-12(6-4-11)17-10-13-7-8-14(16)20-13/h3-8,17H,9-10H2,1-2H3
InChIKeyPRVLWPSHZVIJHX-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.28
Rot. Bonds5

About 2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide

2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide (PubChem CID 43720757) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
PubChem CID43720757
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(NCc2ccc(Br)o2)cc1
InChIInChI=1S/C15H17BrN2O2/c1-18(2)15(19)9-11-3-5-12(6-4-11)17-10-13-7-8-14(16)20-13/h3-8,17H,9-10H2,1-2H3
InChIKeyPRVLWPSHZVIJHX-UHFFFAOYSA-N
XLogP3.28
TPSA45.48 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43681973
2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide
CID 43720767
N-[(5-bromofuran-2-yl)methyl]-4-propylaniline
CID 28665805
2-[4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 102833022
3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60926484
N,N-dimethyl-2-[4-[(3-methylfuran-2-yl)methylamino]phenyl]acetamide
CID 115652552
4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60934971
N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43725286
N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide
CID 66409827
N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
CID 43720754
N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide
CID 60931388
2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 66410759

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide (CID 43720757) is 2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(NCc2ccc(Br)o2)cc1.
What is the InChIKey of 2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide?
The InChIKey is PRVLWPSHZVIJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-18(2)15(19)9-11-3-5-12(6-4-11)17-10-13-7-8-14(16)20-13/h3-8,17H,9-10H2,1-2H3.
What are the key properties of 2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide?
2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide has a molecular weight of 337.22 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 43720757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).