5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide

C12H16BrNO3 — CID 115759837

IUPAC5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C12H16BrNO3/c1-14(8-12(16)6-2-3-7-12)11(15)9-4-5-10(13)17-9/h4-5,16H,2-3,6-8H2,1H3
InChIKeyJGKFWKNMCVMSCT-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.42
Rot. Bonds3

About 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide

5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide (PubChem CID 115759837) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide
PubChem CID115759837
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C12H16BrNO3/c1-14(8-12(16)6-2-3-7-12)11(15)9-4-5-10(13)17-9/h4-5,16H,2-3,6-8H2,1H3
InChIKeyJGKFWKNMCVMSCT-UHFFFAOYSA-N
XLogP2.42
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylfuran-2-carboxamide
CID 114949579
5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 115760620
5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide
CID 115760047
N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 119564929
3-[(5-bromofuran-2-carbonyl)-methylamino]propanoic acid
CID 60989511
N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-3-carboxamide
CID 115760185
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide
CID 17010723
3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 115759781
2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 103840263
4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115760193
5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695876
5-bromo-N-[(1R,2R)-2-fluorocyclopentyl]-N-methylfuran-2-carboxamide
CID 126856171

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide (CID 115759837) is 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide is CN(CC1(O)CCCC1)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is JGKFWKNMCVMSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-14(8-12(16)6-2-3-7-12)11(15)9-4-5-10(13)17-9/h4-5,16H,2-3,6-8H2,1H3.
What are the key properties of 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide?
5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 302.17 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 115759837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).