N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide

C15H9BrN2O5 — CID 599281

IUPACN'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccc(Br)o1
InChIInChI=1S/C15H9BrN2O5/c16-12-6-5-11(22-12)14(20)18-17-13(19)9-7-8-3-1-2-4-10(8)23-15(9)21/h1-7H,(H,17,19)(H,18,20)
InChIKeyZDQYKEGBNXNOJG-UHFFFAOYSA-N
MW377.15 g/mol
LogP2.22
Rot. Bonds2

About N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide

N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide (PubChem CID 599281) has the molecular formula C15H9BrN2O5 and a molecular weight of 377.15 g/mol. Its IUPAC name is N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide
PubChem CID599281
Molecular FormulaC15H9BrN2O5
Molecular Weight377.15 g/mol
Exact Mass375.97
IUPAC NameN'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccc(Br)o1
InChIInChI=1S/C15H9BrN2O5/c16-12-6-5-11(22-12)14(20)18-17-13(19)9-7-8-3-1-2-4-10(8)23-15(9)21/h1-7H,(H,17,19)(H,18,20)
InChIKeyZDQYKEGBNXNOJG-UHFFFAOYSA-N
XLogP2.22
TPSA101.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.15
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide
CID 4795712
[(2-oxochromene-3-carbonyl)amino]thiourea
CID 14494824
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23658676
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide
CID 19133244
2-oxochromene-3-carboxylic acid
CID 161011590
N'-(1,3-benzodioxole-5-carbonyl)-2-oxochromene-3-carbohydrazide
CID 4686766
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide
CID 6149535
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-oxochromene-3-carbohydrazide
CID 1050674

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide?
The IUPAC name of N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide (CID 599281) is N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide.
What is the SMILES notation for N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide?
The canonical SMILES for N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide is O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccc(Br)o1.
What is the InChIKey of N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide?
The InChIKey is ZDQYKEGBNXNOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O5/c16-12-6-5-11(22-12)14(20)18-17-13(19)9-7-8-3-1-2-4-10(8)23-15(9)21/h1-7H,(H,17,19)(H,18,20).
What are the key properties of N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide?
N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide has a molecular weight of 377.15 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide is sourced from PubChem (CID 599281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).