5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide

C14H19BrN2O4 — CID 115760620

IUPAC5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H19BrN2O4/c1-17(9-14(20)6-2-3-7-14)12(18)8-16-13(19)10-4-5-11(15)21-10/h4-5,20H,2-3,6-9H2,1H3,(H,16,19)
InChIKeySPWYCZQLPJHJHL-UHFFFAOYSA-N
MW359.22 g/mol
LogP1.54
Rot. Bonds5

About 5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 115760620) has the molecular formula C14H19BrN2O4 and a molecular weight of 359.22 g/mol. Its IUPAC name is 5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID115760620
Molecular FormulaC14H19BrN2O4
Molecular Weight359.22 g/mol
Exact Mass358.05
IUPAC Name5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H19BrN2O4/c1-17(9-14(20)6-2-3-7-14)12(18)8-16-13(19)10-4-5-11(15)21-10/h4-5,20H,2-3,6-9H2,1H3,(H,16,19)
InChIKeySPWYCZQLPJHJHL-UHFFFAOYSA-N
XLogP1.54
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide
CID 115759837
5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 47263424
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylfuran-2-carboxamide
CID 114949579
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide
CID 17010723
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
1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361990
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
1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309573
5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 79515242

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide (CID 115760620) is 5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide is CN(CC1(O)CCCC1)C(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is SPWYCZQLPJHJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4/c1-17(9-14(20)6-2-3-7-14)12(18)8-16-13(19)10-4-5-11(15)21-10/h4-5,20H,2-3,6-9H2,1H3,(H,16,19).
What are the key properties of 5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 359.22 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 115760620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).