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

C17H18BrNO2 — CID 60697652

IUPAC2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
SMILESCC1CC1c1ccc(CN(C)C(=O)c2ccccc2Br)o1
InChIInChI=1S/C17H18BrNO2/c1-11-9-14(11)16-8-7-12(21-16)10-19(2)17(20)13-5-3-4-6-15(13)18/h3-8,11,14H,9-10H2,1-2H3
InChIKeyWBEVHQPXIXTNTR-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.44
Rot. Bonds4

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

2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide (PubChem CID 60697652) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
PubChem CID60697652
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
SMILESCC1CC1c1ccc(CN(C)C(=O)c2ccccc2Br)o1
InChIInChI=1S/C17H18BrNO2/c1-11-9-14(11)16-8-7-12(21-16)10-19(2)17(20)13-5-3-4-6-15(13)18/h3-8,11,14H,9-10H2,1-2H3
InChIKeyWBEVHQPXIXTNTR-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]furan-3-carboxamide
CID 106853385
4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 60697653
N-methyl-N-[2-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 94150490
2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide
CID 30142898
2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
CID 47015119
5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide
CID 78949487
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
N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 94474507
3,3,3-trifluoro-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide
CID 94001598
3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide
CID 94001595
3-(dimethylsulfamoyl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 17471417

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide?
The IUPAC name of 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide (CID 60697652) is 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide is CC1CC1c1ccc(CN(C)C(=O)c2ccccc2Br)o1.
What is the InChIKey of 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide?
The InChIKey is WBEVHQPXIXTNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11-9-14(11)16-8-7-12(21-16)10-19(2)17(20)13-5-3-4-6-15(13)18/h3-8,11,14H,9-10H2,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide?
2-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 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide is sourced from PubChem (CID 60697652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).