N'-(4-bromophenyl)-2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-diphenylacetohydrazide

C30H22BrN3O4 — CID 2302680

IUPACN'-(4-bromophenyl)-2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-diphenylacetohydrazide
SMILESO=C(C(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C30H22BrN3O4/c31-22-15-17-23(18-16-22)34(28(36)27(35)25-19-32-26-14-8-7-13-24(25)26)33-29(37)30(38,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19,32,38H,(H,33,37)
InChIKeyVKTXDOJVODQNNJ-UHFFFAOYSA-N
MW568.43 g/mol
LogP5.11
Rot. Bonds6

About N'-(4-bromophenyl)-2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-diphenylacetohydrazide

N'-(4-bromophenyl)-2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-diphenylacetohydrazide (PubChem CID 2302680) has the molecular formula C30H22BrN3O4 and a molecular weight of 568.43 g/mol. Its IUPAC name is N'-(4-bromophenyl)-2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-diphenylacetohydrazide
PubChem CID2302680
Molecular FormulaC30H22BrN3O4
Molecular Weight568.43 g/mol
Exact Mass567.08
IUPAC NameN'-(4-bromophenyl)-2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-diphenylacetohydrazide
SMILESO=C(C(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C30H22BrN3O4/c31-22-15-17-23(18-16-22)34(28(36)27(35)25-19-32-26-14-8-7-13-24(25)26)33-29(37)30(38,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19,32,38H,(H,33,37)
InChIKeyVKTXDOJVODQNNJ-UHFFFAOYSA-N
XLogP5.11
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.43
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromo-N-[(2-hydroxy-2,2-diphenylacetyl)amino]anilino)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 3442277
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide
CID 2716307
2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 62818979
(Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 101442248
2-[(4-bromophenyl)methylsulfanyl]-1-(1H-indol-3-yl)ethanone
CID 127031657
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
2-hydroxy-N',N'-dimethyl-2,2-diphenylacetohydrazide
CID 12885881
6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 141109801
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
N-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide
CID 84543848

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-(4-bromophenyl)-2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-diphenylacetohydrazide (CID 2302680) is N'-(4-bromophenyl)-2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-(4-bromophenyl)-2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-(4-bromophenyl)-2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-diphenylacetohydrazide is O=C(C(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of N'-(4-bromophenyl)-2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-diphenylacetohydrazide?
The InChIKey is VKTXDOJVODQNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22BrN3O4/c31-22-15-17-23(18-16-22)34(28(36)27(35)25-19-32-26-14-8-7-13-24(25)26)33-29(37)30(38,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19,32,38H,(H,33,37).
What are the key properties of N'-(4-bromophenyl)-2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-diphenylacetohydrazide?
N'-(4-bromophenyl)-2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-diphenylacetohydrazide has a molecular weight of 568.43 g/mol, XLogP of 5.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 2302680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).