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

C17H15BrF2N2O3 — CID 3080425

IUPACN'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide
SMILESCC(Br)C(=O)NNC(=O)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15BrF2N2O3/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)
InChIKeyJHAGHEGHBXWLAE-UHFFFAOYSA-N
MW413.22 g/mol
LogP2.13
Rot. Bonds4

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

N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide (PubChem CID 3080425) has the molecular formula C17H15BrF2N2O3 and a molecular weight of 413.22 g/mol. Its IUPAC name is N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide.

Molecular Properties

Compound NameN'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide
PubChem CID3080425
Molecular FormulaC17H15BrF2N2O3
Molecular Weight413.22 g/mol
Exact Mass412.02
IUPAC NameN'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide
SMILESCC(Br)C(=O)NNC(=O)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15BrF2N2O3/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)
InChIKeyJHAGHEGHBXWLAE-UHFFFAOYSA-N
XLogP2.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.22
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide?
The IUPAC name of N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide (CID 3080425) is N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide.
What is the SMILES notation for N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide?
The canonical SMILES for N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide is CC(Br)C(=O)NNC(=O)C(O)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide?
The InChIKey is JHAGHEGHBXWLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N2O3/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-fluorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide?
N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide has a molecular weight of 413.22 g/mol, XLogP of 2.13, 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-fluorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide is sourced from PubChem (CID 3080425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).