4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide

C17H18BrNO2 — CID 60697653

IUPAC4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
SMILESCC1CC1c1ccc(CN(C)C(=O)c2ccc(Br)cc2)o1
InChIInChI=1S/C17H18BrNO2/c1-11-9-15(11)16-8-7-14(21-16)10-19(2)17(20)12-3-5-13(18)6-4-12/h3-8,11,15H,9-10H2,1-2H3
InChIKeyYBQJPQLCJOOMEW-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.44
Rot. Bonds4

About 4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide

4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide (PubChem CID 60697653) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
PubChem CID60697653
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
SMILESCC1CC1c1ccc(CN(C)C(=O)c2ccc(Br)cc2)o1
InChIInChI=1S/C17H18BrNO2/c1-11-9-15(11)16-8-7-14(21-16)10-19(2)17(20)12-3-5-13(18)6-4-12/h3-8,11,15H,9-10H2,1-2H3
InChIKeyYBQJPQLCJOOMEW-UHFFFAOYSA-N
XLogP4.44
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 60697652
2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide
CID 106853385
N-methyl-N-[2-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 94150490
N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide
CID 94667060
N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide
CID 94667059
5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide
CID 78949487
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 19244185
3-(dimethylsulfamoyl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 17471417
2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate
CID 79345361
N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60701418
2-amino-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide
CID 54869738
3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide
CID 94001595

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide?
The IUPAC name of 4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide (CID 60697653) is 4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide?
The canonical SMILES for 4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide is CC1CC1c1ccc(CN(C)C(=O)c2ccc(Br)cc2)o1.
What is the InChIKey of 4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide?
The InChIKey is YBQJPQLCJOOMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11-9-15(11)16-8-7-14(21-16)10-19(2)17(20)12-3-5-13(18)6-4-12/h3-8,11,15H,9-10H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide?
4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide has a molecular weight of 348.24 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide is sourced from PubChem (CID 60697653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).