N'-[2,2-bis(4-chlorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide

C17H15BrCl2N2O3 — CID 3080426

IUPACN'-[2,2-bis(4-chlorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide
SMILESCC(Br)C(=O)NNC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15BrCl2N2O3/c1-10(18)15(23)21-22-16(24)17(25,11-2-6-13(19)7-3-11)12-4-8-14(20)9-5-12/h2-10,25H,1H3,(H,21,23)(H,22,24)
InChIKeyVCERDZUHFIWXAW-UHFFFAOYSA-N
MW446.13 g/mol
LogP3.16
Rot. Bonds4

About N'-[2,2-bis(4-chlorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide

N'-[2,2-bis(4-chlorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide (PubChem CID 3080426) has the molecular formula C17H15BrCl2N2O3 and a molecular weight of 446.13 g/mol. Its IUPAC name is N'-[2,2-bis(4-chlorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide.

Molecular Properties

Compound NameN'-[2,2-bis(4-chlorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide
PubChem CID3080426
Molecular FormulaC17H15BrCl2N2O3
Molecular Weight446.13 g/mol
Exact Mass443.96
IUPAC NameN'-[2,2-bis(4-chlorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide
SMILESCC(Br)C(=O)NNC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15BrCl2N2O3/c1-10(18)15(23)21-22-16(24)17(25,11-2-6-13(19)7-3-11)12-4-8-14(20)9-5-12/h2-10,25H,1H3,(H,21,23)(H,22,24)
InChIKeyVCERDZUHFIWXAW-UHFFFAOYSA-N
XLogP3.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.13
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide
CID 3347587
Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(chloroacetyl)hydrazide
CID 1928519
Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxy-, hydrazide
CID 3078106
Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxy-, 2-(chloroacetyl)hydrazide
CID 3080422
Benzeneacetic acid, alpha-hydroxy-3-methyl-alpha-(3-methylphenyl)-, 2-(2-bromo-1-oxopropyl)hydrazide
CID 3080423
Benzeneacetic acid, alpha-hydroxy-4-methyl-alpha-(4-methylphenyl)-, 2-(2-bromo-1-oxopropyl)hydrazide
CID 3080424
Benzeneacetic acid, 4-fluoro-alpha-(4-fluorophenyl)-alpha-hydroxy-, 2-(2-bromo-1-oxopropyl)hydrazide
CID 3080425
1-Piperazineacetic acid, 4-methyl-, 2-(bis(4-chlorophenyl)hydroxyacetyl)hydrazide
CID 3080429
N'-acetyl-2-hydroxy-2,2-diphenylacetohydrazide
CID 818768
(2Z)-4-(4-chlorophenyl)-2-hydroxy-N'-[hydroxy(diphenyl)acetyl]-4-oxobut-2-enehydrazide
CID 1922820
2-(4-Chlorophenyl)-2-hydroxyacetohydrazide
CID 2852687
2,2-bis(4-chlorophenyl)-N'-ethyl-2-hydroxyacetohydrazide
CID 3104365

Frequently Asked Questions

What is the IUPAC name of N'-[2,2-bis(4-chlorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide?
The IUPAC name of N'-[2,2-bis(4-chlorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide (CID 3080426) is N'-[2,2-bis(4-chlorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide.
What is the SMILES notation for N'-[2,2-bis(4-chlorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide?
The canonical SMILES for N'-[2,2-bis(4-chlorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide is CC(Br)C(=O)NNC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N'-[2,2-bis(4-chlorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide?
The InChIKey is VCERDZUHFIWXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrCl2N2O3/c1-10(18)15(23)21-22-16(24)17(25,11-2-6-13(19)7-3-11)12-4-8-14(20)9-5-12/h2-10,25H,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2,2-bis(4-chlorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide?
N'-[2,2-bis(4-chlorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide has a molecular weight of 446.13 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,2-bis(4-chlorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide is sourced from PubChem (CID 3080426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).