6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide

C19H14Br2N2O5 — CID 996207

IUPAC6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide
SMILESC[C@H](Oc1ccccc1Br)C(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C19H14Br2N2O5/c1-10(27-16-5-3-2-4-14(16)21)17(24)22-23-18(25)13-9-11-8-12(20)6-7-15(11)28-19(13)26/h2-10H,1H3,(H,22,24)(H,23,25)/t10-/m0/s1
InChIKeyXFMQAPNPCVSLEW-JTQLQIEISA-N
MW510.14 g/mol
LogP3.55
Rot. Bonds4

About 6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide

6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide (PubChem CID 996207) has the molecular formula C19H14Br2N2O5 and a molecular weight of 510.14 g/mol. Its IUPAC name is 6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide.

Molecular Properties

Compound Name6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide
PubChem CID996207
Molecular FormulaC19H14Br2N2O5
Molecular Weight510.14 g/mol
Exact Mass507.93
IUPAC Name6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide
SMILESC[C@H](Oc1ccccc1Br)C(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C19H14Br2N2O5/c1-10(27-16-5-3-2-4-14(16)21)17(24)22-23-18(25)13-9-11-8-12(20)6-7-15(11)28-19(13)26/h2-10H,1H3,(H,22,24)(H,23,25)/t10-/m0/s1
InChIKeyXFMQAPNPCVSLEW-JTQLQIEISA-N
XLogP3.55
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.14
LogP ≤ 53.55
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

6-bromo-N'-[(2R)-2-(4-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide
CID 1253490
6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide
CID 996211
6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide
CID 19133244
5-bromo-2-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 43005319
6-bromo-2-oxo-N-[(2R)-4-phenylbutan-2-yl]chromene-3-carboxamide
CID 2090696
6-bromo-2-oxo-N-phenylchromene-3-carboxamide
CID 747661
N'-(6-bromo-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
CID 1039196
6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide
CID 1111853
5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 43011953
6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide
CID 6464465
5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 17353100
N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-2-chlorobenzohydrazide
CID 55771819

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide?
The IUPAC name of 6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide (CID 996207) is 6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide.
What is the SMILES notation for 6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide?
The canonical SMILES for 6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide is C[C@H](Oc1ccccc1Br)C(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O.
What is the InChIKey of 6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide?
The InChIKey is XFMQAPNPCVSLEW-JTQLQIEISA-N. The full InChI is InChI=1S/C19H14Br2N2O5/c1-10(27-16-5-3-2-4-14(16)21)17(24)22-23-18(25)13-9-11-8-12(20)6-7-15(11)28-19(13)26/h2-10H,1H3,(H,22,24)(H,23,25)/t10-/m0/s1.
What are the key properties of 6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide?
6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide has a molecular weight of 510.14 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide is sourced from PubChem (CID 996207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).