6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide

C26H21BrN2O6 — CID 996211

IUPAC6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide
SMILESC[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C26H21BrN2O6/c1-16(34-21-10-8-20(9-11-21)33-15-17-5-3-2-4-6-17)24(30)28-29-25(31)22-14-18-13-19(27)7-12-23(18)35-26(22)32/h2-14,16H,15H2,1H3,(H,28,30)(H,29,31)/t16-/m1/s1
InChIKeyLHZYUJQOUMJJMV-MRXNPFEDSA-N
MW537.37 g/mol
LogP4.36
Rot. Bonds7

About 6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide

6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide (PubChem CID 996211) has the molecular formula C26H21BrN2O6 and a molecular weight of 537.37 g/mol. Its IUPAC name is 6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide.

Molecular Properties

Compound Name6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide
PubChem CID996211
Molecular FormulaC26H21BrN2O6
Molecular Weight537.37 g/mol
Exact Mass536.06
IUPAC Name6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide
SMILESC[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C26H21BrN2O6/c1-16(34-21-10-8-20(9-11-21)33-15-17-5-3-2-4-6-17)24(30)28-29-25(31)22-14-18-13-19(27)7-12-23(18)35-26(22)32/h2-14,16H,15H2,1H3,(H,28,30)(H,29,31)/t16-/m1/s1
InChIKeyLHZYUJQOUMJJMV-MRXNPFEDSA-N
XLogP4.36
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.37
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-N'-[(2S)-2-(2-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide
CID 996207
6-bromo-2-oxo-N-[(2R)-4-phenylbutan-2-yl]chromene-3-carboxamide
CID 2090696
6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide
CID 19133244
5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 17353100
6-bromo-N-(4-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1363456
2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
CID 4952061
6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide
CID 3816186
6-bromo-2-oxo-N-phenylchromene-3-carboxamide
CID 747661
N'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide
CID 60550621
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide?
The IUPAC name of 6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide (CID 996211) is 6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide.
What is the SMILES notation for 6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide?
The canonical SMILES for 6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide is C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O.
What is the InChIKey of 6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide?
The InChIKey is LHZYUJQOUMJJMV-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H21BrN2O6/c1-16(34-21-10-8-20(9-11-21)33-15-17-5-3-2-4-6-17)24(30)28-29-25(31)22-14-18-13-19(27)7-12-23(18)35-26(22)32/h2-14,16H,15H2,1H3,(H,28,30)(H,29,31)/t16-/m1/s1.
What are the key properties of 6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide?
6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide has a molecular weight of 537.37 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide is sourced from PubChem (CID 996211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).