5-bromo-N-(2-oxobenzo[h]chromen-3-yl)furan-2-carboxamide

C18H10BrNO4 — CID 171977354

IUPAC5-bromo-N-(2-oxobenzo[h]chromen-3-yl)furan-2-carboxamide
SMILESO=C(Nc1cc2ccc3ccccc3c2oc1=O)c1ccc(Br)o1
InChIInChI=1S/C18H10BrNO4/c19-15-8-7-14(23-15)17(21)20-13-9-11-6-5-10-3-1-2-4-12(10)16(11)24-18(13)22/h1-9H,(H,20,21)
InChIKeyGDAZNERXRPXUCI-UHFFFAOYSA-N
MW384.19 g/mol
LogP4.55
Rot. Bonds2

About 5-bromo-N-(2-oxobenzo[h]chromen-3-yl)furan-2-carboxamide

5-bromo-N-(2-oxobenzo[h]chromen-3-yl)furan-2-carboxamide (PubChem CID 171977354) has the molecular formula C18H10BrNO4 and a molecular weight of 384.19 g/mol. Its IUPAC name is 5-bromo-N-(2-oxobenzo[h]chromen-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-oxobenzo[h]chromen-3-yl)furan-2-carboxamide
PubChem CID171977354
Molecular FormulaC18H10BrNO4
Molecular Weight384.19 g/mol
Exact Mass382.98
IUPAC Name5-bromo-N-(2-oxobenzo[h]chromen-3-yl)furan-2-carboxamide
SMILESO=C(Nc1cc2ccc3ccccc3c2oc1=O)c1ccc(Br)o1
InChIInChI=1S/C18H10BrNO4/c19-15-8-7-14(23-15)17(21)20-13-9-11-6-5-10-3-1-2-4-12(10)16(11)24-18(13)22/h1-9H,(H,20,21)
InChIKeyGDAZNERXRPXUCI-UHFFFAOYSA-N
XLogP4.55
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-(butanoylamino)phenyl]furan-2-carboxamide
CID 1297850
5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
CID 835581
5-bromo-N-(2-phenylphenyl)furan-2-carboxamide
CID 2183264
N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 55972451
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide
CID 47310866
methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 728836
N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide
CID 599281
5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 1142575
methyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate
CID 10093206
5-bromo-N-(3-iodophenyl)furan-2-carboxamide
CID 7928389
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide
CID 106999674

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-oxobenzo[h]chromen-3-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-oxobenzo[h]chromen-3-yl)furan-2-carboxamide (CID 171977354) is 5-bromo-N-(2-oxobenzo[h]chromen-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-oxobenzo[h]chromen-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-oxobenzo[h]chromen-3-yl)furan-2-carboxamide is O=C(Nc1cc2ccc3ccccc3c2oc1=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-oxobenzo[h]chromen-3-yl)furan-2-carboxamide?
The InChIKey is GDAZNERXRPXUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrNO4/c19-15-8-7-14(23-15)17(21)20-13-9-11-6-5-10-3-1-2-4-12(10)16(11)24-18(13)22/h1-9H,(H,20,21).
What are the key properties of 5-bromo-N-(2-oxobenzo[h]chromen-3-yl)furan-2-carboxamide?
5-bromo-N-(2-oxobenzo[h]chromen-3-yl)furan-2-carboxamide has a molecular weight of 384.19 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-oxobenzo[h]chromen-3-yl)furan-2-carboxamide is sourced from PubChem (CID 171977354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).