2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide

C17H20BrNO2 — CID 86950563

IUPAC2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide
SMILESCc1cc(CNC(=O)C(C)(C)c2ccc(Br)cc2)c(C)o1
InChIInChI=1S/C17H20BrNO2/c1-11-9-13(12(2)21-11)10-19-16(20)17(3,4)14-5-7-15(18)8-6-14/h5-9H,10H2,1-4H3,(H,19,20)
InChIKeyJCYFYWAFANVXEM-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.25
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide

2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide (PubChem CID 86950563) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide
PubChem CID86950563
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide
SMILESCc1cc(CNC(=O)C(C)(C)c2ccc(Br)cc2)c(C)o1
InChIInChI=1S/C17H20BrNO2/c1-11-9-13(12(2)21-11)10-19-16(20)17(3,4)14-5-7-15(18)8-6-14/h5-9H,10H2,1-4H3,(H,19,20)
InChIKeyJCYFYWAFANVXEM-UHFFFAOYSA-N
XLogP4.25
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide
CID 86950361
N-benzyl-2-(4-bromophenyl)-2-methylpropanamide
CID 134025593
2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119509414
2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide
CID 80556329
N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 90536144
N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropanecarboxamide
CID 90536003
N'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide
CID 90536222
4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 90536031
N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride
CID 119549666
2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 116816881
N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide
CID 104936890
N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide
CID 90536100

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide (CID 86950563) is 2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide is Cc1cc(CNC(=O)C(C)(C)c2ccc(Br)cc2)c(C)o1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide?
The InChIKey is JCYFYWAFANVXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-11-9-13(12(2)21-11)10-19-16(20)17(3,4)14-5-7-15(18)8-6-14/h5-9H,10H2,1-4H3,(H,19,20).
What are the key properties of 2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide?
2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide has a molecular weight of 350.26 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 86950563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).