5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide

C12H15BrN2O3 — CID 47263424

IUPAC5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(CC1CC1)C(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H15BrN2O3/c1-15(7-8-2-3-8)11(16)6-14-12(17)9-4-5-10(13)18-9/h4-5,8H,2-3,6-7H2,1H3,(H,14,17)
InChIKeyHCTFJCQRZDGHTQ-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.64
Rot. Bonds5

About 5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 47263424) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID47263424
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(CC1CC1)C(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H15BrN2O3/c1-15(7-8-2-3-8)11(16)6-14-12(17)9-4-5-10(13)18-9/h4-5,8H,2-3,6-7H2,1H3,(H,14,17)
InChIKeyHCTFJCQRZDGHTQ-UHFFFAOYSA-N
XLogP1.64
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 115760620
5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 26619560
5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 55707431
5-bromo-N-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 75467426
5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide
CID 115635897
5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide
CID 55172976
5-bromo-N-[2-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 64510329
5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide
CID 103659452
5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 17480140
5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 55028748
3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-ethylamino]propanoic acid
CID 61007116
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 47263424) is 5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide is CN(CC1CC1)C(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is HCTFJCQRZDGHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-15(7-8-2-3-8)11(16)6-14-12(17)9-4-5-10(13)18-9/h4-5,8H,2-3,6-7H2,1H3,(H,14,17).
What are the key properties of 5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 315.17 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 47263424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).