5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide

C13H17BrN2O5 — CID 79515242

IUPAC5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCC1(O)CCOCC1
InChIInChI=1S/C13H17BrN2O5/c14-10-2-1-9(21-10)12(18)15-7-11(17)16-8-13(19)3-5-20-6-4-13/h1-2,19H,3-8H2,(H,15,18)(H,16,17)
InChIKeyVVVYSTOSLWWYSS-UHFFFAOYSA-N
MW361.19 g/mol
LogP0.43
Rot. Bonds5

About 5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 79515242) has the molecular formula C13H17BrN2O5 and a molecular weight of 361.19 g/mol. Its IUPAC name is 5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID79515242
Molecular FormulaC13H17BrN2O5
Molecular Weight361.19 g/mol
Exact Mass360.03
IUPAC Name5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCC1(O)CCOCC1
InChIInChI=1S/C13H17BrN2O5/c14-10-2-1-9(21-10)12(18)15-7-11(17)16-8-13(19)3-5-20-6-4-13/h1-2,19H,3-8H2,(H,15,18)(H,16,17)
InChIKeyVVVYSTOSLWWYSS-UHFFFAOYSA-N
XLogP0.43
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide
CID 91914813
5-bromo-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]furan-2-carboxamide
CID 51163910
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
2-(4-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 113337956
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
1-[(4-bromophenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 111106655
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylfuran-2-carboxamide
CID 114949579
N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111486161
3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide
CID 103848664
5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide
CID 114618727
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 71788625
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7978577

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide (CID 79515242) is 5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NCC1(O)CCOCC1.
What is the InChIKey of 5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is VVVYSTOSLWWYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O5/c14-10-2-1-9(21-10)12(18)15-7-11(17)16-8-13(19)3-5-20-6-4-13/h1-2,19H,3-8H2,(H,15,18)(H,16,17).
What are the key properties of 5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 361.19 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 79515242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).