6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide

C17H10BrClN2O4 — CID 19133244

IUPAC6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccccc1Cl
InChIInChI=1S/C17H10BrClN2O4/c18-10-5-6-14-9(7-10)8-12(17(24)25-14)16(23)21-20-15(22)11-3-1-2-4-13(11)19/h1-8H,(H,20,22)(H,21,23)
InChIKeyMIUZBIUTKBRJFV-UHFFFAOYSA-N
MW421.63 g/mol
LogP3.28
Rot. Bonds2

About 6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide

6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide (PubChem CID 19133244) has the molecular formula C17H10BrClN2O4 and a molecular weight of 421.63 g/mol. Its IUPAC name is 6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide.

Molecular Properties

Compound Name6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide
PubChem CID19133244
Molecular FormulaC17H10BrClN2O4
Molecular Weight421.63 g/mol
Exact Mass419.95
IUPAC Name6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccccc1Cl
InChIInChI=1S/C17H10BrClN2O4/c18-10-5-6-14-9(7-10)8-12(17(24)25-14)16(23)21-20-15(22)11-3-1-2-4-13(11)19/h1-8H,(H,20,22)(H,21,23)
InChIKeyMIUZBIUTKBRJFV-UHFFFAOYSA-N
XLogP3.28
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.63
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

6-bromo-2-oxo-N-phenylchromene-3-carboxamide
CID 747661
5-bromo-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 35929301
N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
CID 1039196
6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide
CID 1111853
6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide
CID 996207
5-bromo-2-[(6-bromo-2-oxochromene-3-carbonyl)amino]benzoate
CID 6989800
6-bromo-N'-[(2R)-2-(4-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide
CID 1253490
6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide
CID 3816186
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
6-bromo-N-cycloheptyl-2-oxochromene-3-carboxamide
CID 1246809
N-(4-bromo-2-fluorophenyl)-6-chloro-2-oxochromene-3-carboxamide
CID 100795022
6-bromo-2-oxo-N-[(2R)-4-phenylbutan-2-yl]chromene-3-carboxamide
CID 2090696

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide?
The IUPAC name of 6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide (CID 19133244) is 6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide.
What is the SMILES notation for 6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide?
The canonical SMILES for 6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide is O=C(NNC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccccc1Cl.
What is the InChIKey of 6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide?
The InChIKey is MIUZBIUTKBRJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClN2O4/c18-10-5-6-14-9(7-10)8-12(17(24)25-14)16(23)21-20-15(22)11-3-1-2-4-13(11)19/h1-8H,(H,20,22)(H,21,23).
What are the key properties of 6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide?
6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide has a molecular weight of 421.63 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide is sourced from PubChem (CID 19133244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).