2-amino-6-bromo-N-(furan-2-ylmethyl)-4-oxochromene-3-carboxamide

C15H11BrN2O4 — CID 7463349

IUPAC2-amino-6-bromo-N-(furan-2-ylmethyl)-4-oxochromene-3-carboxamide
SMILESNc1oc2ccc(Br)cc2c(=O)c1C(=O)NCc1ccco1
InChIInChI=1S/C15H11BrN2O4/c16-8-3-4-11-10(6-8)13(19)12(14(17)22-11)15(20)18-7-9-2-1-5-21-9/h1-6H,7,17H2,(H,18,20)
InChIKeyVHOOUXSLSPFMCT-UHFFFAOYSA-N
MW363.17 g/mol
LogP2.66
Rot. Bonds3

About 2-amino-6-bromo-N-(furan-2-ylmethyl)-4-oxochromene-3-carboxamide

2-amino-6-bromo-N-(furan-2-ylmethyl)-4-oxochromene-3-carboxamide (PubChem CID 7463349) has the molecular formula C15H11BrN2O4 and a molecular weight of 363.17 g/mol. Its IUPAC name is 2-amino-6-bromo-N-(furan-2-ylmethyl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-bromo-N-(furan-2-ylmethyl)-4-oxochromene-3-carboxamide
PubChem CID7463349
Molecular FormulaC15H11BrN2O4
Molecular Weight363.17 g/mol
Exact Mass361.99
IUPAC Name2-amino-6-bromo-N-(furan-2-ylmethyl)-4-oxochromene-3-carboxamide
SMILESNc1oc2ccc(Br)cc2c(=O)c1C(=O)NCc1ccco1
InChIInChI=1S/C15H11BrN2O4/c16-8-3-4-11-10(6-8)13(19)12(14(17)22-11)15(20)18-7-9-2-1-5-21-9/h1-6H,7,17H2,(H,18,20)
InChIKeyVHOOUXSLSPFMCT-UHFFFAOYSA-N
XLogP2.66
TPSA98.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dibromo-N-(furan-2-ylmethyl)benzamide
CID 114369742
5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 896756
5-amino-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 82344099
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide
CID 16782827
2-amino-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107073676
5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide
CID 17015687
6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 3431017
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
5-bromo-2-(furan-2-ylmethylcarbamoylamino)benzoic acid
CID 62074358
1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 108899432
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-N-(furan-2-ylmethyl)-4-oxochromene-3-carboxamide?
The IUPAC name of 2-amino-6-bromo-N-(furan-2-ylmethyl)-4-oxochromene-3-carboxamide (CID 7463349) is 2-amino-6-bromo-N-(furan-2-ylmethyl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for 2-amino-6-bromo-N-(furan-2-ylmethyl)-4-oxochromene-3-carboxamide?
The canonical SMILES for 2-amino-6-bromo-N-(furan-2-ylmethyl)-4-oxochromene-3-carboxamide is Nc1oc2ccc(Br)cc2c(=O)c1C(=O)NCc1ccco1.
What is the InChIKey of 2-amino-6-bromo-N-(furan-2-ylmethyl)-4-oxochromene-3-carboxamide?
The InChIKey is VHOOUXSLSPFMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O4/c16-8-3-4-11-10(6-8)13(19)12(14(17)22-11)15(20)18-7-9-2-1-5-21-9/h1-6H,7,17H2,(H,18,20).
What are the key properties of 2-amino-6-bromo-N-(furan-2-ylmethyl)-4-oxochromene-3-carboxamide?
2-amino-6-bromo-N-(furan-2-ylmethyl)-4-oxochromene-3-carboxamide has a molecular weight of 363.17 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-N-(furan-2-ylmethyl)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 7463349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).