5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide

C12H17BrN2O2 — CID 55172976

IUPAC5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2ccc(Br)o2)C1
InChIInChI=1S/C12H17BrN2O2/c1-14-6-5-9(7-14)8-15(2)12(16)10-3-4-11(13)17-10/h3-4,9H,5-8H2,1-2H3
InChIKeyJUVRFTMZNWZTEH-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.07
Rot. Bonds3

About 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide

5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide (PubChem CID 55172976) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide
PubChem CID55172976
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2ccc(Br)o2)C1
InChIInChI=1S/C12H17BrN2O2/c1-14-6-5-9(7-14)8-15(2)12(16)10-3-4-11(13)17-10/h3-4,9H,5-8H2,1-2H3
InChIKeyJUVRFTMZNWZTEH-UHFFFAOYSA-N
XLogP2.07
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]piperidin-4-yl]acetic acid
CID 119178133
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 119483359
4-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63275957
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 119409324
5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]furan-3-carboxylic acid
CID 113432329
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 119377242
5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 86823045
5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119644278
4,5-dibromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 78942000
5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 47263424
4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81005125

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide (CID 55172976) is 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide is CN1CCC(CN(C)C(=O)c2ccc(Br)o2)C1.
What is the InChIKey of 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide?
The InChIKey is JUVRFTMZNWZTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-14-6-5-9(7-14)8-15(2)12(16)10-3-4-11(13)17-10/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide?
5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide has a molecular weight of 301.18 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 55172976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).