N-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide

C15H16BrNO3 — CID 110895231

IUPACN-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H16BrNO3/c1-11-9-13(16)20-14(11)15(19)17(7-8-18)10-12-5-3-2-4-6-12/h2-6,9,18H,7-8,10H2,1H3
InChIKeyJVXLSSXXCAYQPH-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.99
Rot. Bonds5

About N-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide

N-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide (PubChem CID 110895231) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is N-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide
PubChem CID110895231
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC NameN-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H16BrNO3/c1-11-9-13(16)20-14(11)15(19)17(7-8-18)10-12-5-3-2-4-6-12/h2-6,9,18H,7-8,10H2,1H3
InChIKeyJVXLSSXXCAYQPH-UHFFFAOYSA-N
XLogP2.99
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107027966
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide
CID 103882425
N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 47002987
N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103844027
N-benzyl-2-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103766995
N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 78796018
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N-benzyl-3,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 103955560
N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62957970
N,N-dibenzyl-5-bromofuran-2-carboxamide
CID 1042531

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide (CID 110895231) is N-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide is Cc1cc(Br)oc1C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide?
The InChIKey is JVXLSSXXCAYQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-11-9-13(16)20-14(11)15(19)17(7-8-18)10-12-5-3-2-4-6-12/h2-6,9,18H,7-8,10H2,1H3.
What are the key properties of N-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide?
N-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide has a molecular weight of 338.20 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 110895231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).