5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide

C14H11BrN4O3 — CID 91818533

IUPAC5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCn1nnc2ccccc2c1=O)c1ccc(Br)o1
InChIInChI=1S/C14H11BrN4O3/c15-12-6-5-11(22-12)13(20)16-7-8-19-14(21)9-3-1-2-4-10(9)17-18-19/h1-6H,7-8H2,(H,16,20)
InChIKeyTUQMSQUOGVCWDD-UHFFFAOYSA-N
MW363.17 g/mol
LogP1.58
Rot. Bonds4

About 5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide

5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide (PubChem CID 91818533) has the molecular formula C14H11BrN4O3 and a molecular weight of 363.17 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide
PubChem CID91818533
Molecular FormulaC14H11BrN4O3
Molecular Weight363.17 g/mol
Exact Mass362.00
IUPAC Name5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCn1nnc2ccccc2c1=O)c1ccc(Br)o1
InChIInChI=1S/C14H11BrN4O3/c15-12-6-5-11(22-12)13(20)16-7-8-19-14(21)9-3-1-2-4-10(9)17-18-19/h1-6H,7-8H2,(H,16,20)
InChIKeyTUQMSQUOGVCWDD-UHFFFAOYSA-N
XLogP1.58
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide
CID 110742704
N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 91818526
(Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 91818540
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-pyrrol-1-ylethyl)butanamide
CID 56761021
(Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 117055273
5-bromo-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide
CID 42391361
N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39430248
2-methyl-N-[2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]ethyl]propanamide
CID 39436419
4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoate
CID 7061910
3-[2-(oxan-4-ylamino)ethyl]-1,2,3-benzotriazin-4-one
CID 63099867
5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 4792773

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide (CID 91818533) is 5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide is O=C(NCCn1nnc2ccccc2c1=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide?
The InChIKey is TUQMSQUOGVCWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O3/c15-12-6-5-11(22-12)13(20)16-7-8-19-14(21)9-3-1-2-4-10(9)17-18-19/h1-6H,7-8H2,(H,16,20).
What are the key properties of 5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide?
5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 363.17 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 91818533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).