N'-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]propanehydrazide

C17H16Br2N2O3 — CID 4597469

IUPACN'-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]propanehydrazide
SMILESCCC(=O)NNC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H16Br2N2O3/c1-2-15(22)20-21-16(23)17(24,11-3-7-13(18)8-4-11)12-5-9-14(19)10-6-12/h3-10,24H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyNSMLJCOVWXFQJX-UHFFFAOYSA-N
MW456.13 g/mol
LogP3.00
Rot. Bonds4

About N'-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]propanehydrazide

N'-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]propanehydrazide (PubChem CID 4597469) has the molecular formula C17H16Br2N2O3 and a molecular weight of 456.13 g/mol. Its IUPAC name is N'-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]propanehydrazide.

Molecular Properties

Compound NameN'-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]propanehydrazide
PubChem CID4597469
Molecular FormulaC17H16Br2N2O3
Molecular Weight456.13 g/mol
Exact Mass453.95
IUPAC NameN'-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]propanehydrazide
SMILESCCC(=O)NNC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H16Br2N2O3/c1-2-15(22)20-21-16(23)17(24,11-3-7-13(18)8-4-11)12-5-9-14(19)10-6-12/h3-10,24H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyNSMLJCOVWXFQJX-UHFFFAOYSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.13
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide
CID 54790881
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
methyl 3-(4-bromophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394591
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119509414
4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65111325
2-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]oxyethyl-dimethylazanium
CID 7012352
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide
CID 8505522
[2-(4-bromophenyl)-2-hydroxypropyl] acetate
CID 126832799
N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide
CID 104936890

Frequently Asked Questions

What is the IUPAC name of N'-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]propanehydrazide?
The IUPAC name of N'-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]propanehydrazide (CID 4597469) is N'-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]propanehydrazide.
What is the SMILES notation for N'-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]propanehydrazide?
The canonical SMILES for N'-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]propanehydrazide is CCC(=O)NNC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of N'-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]propanehydrazide?
The InChIKey is NSMLJCOVWXFQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O3/c1-2-15(22)20-21-16(23)17(24,11-3-7-13(18)8-4-11)12-5-9-14(19)10-6-12/h3-10,24H,2H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]propanehydrazide?
N'-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]propanehydrazide has a molecular weight of 456.13 g/mol, XLogP of 3.00, 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-bromophenyl)-2-hydroxyacetyl]propanehydrazide is sourced from PubChem (CID 4597469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).