N-(4-bromophenyl)-3,3-difluoropropanehydrazide

C9H9BrF2N2O — CID 175715890

IUPACN-(4-bromophenyl)-3,3-difluoropropanehydrazide
SMILESNN(C(=O)CC(F)F)c1ccc(Br)cc1
InChIInChI=1S/C9H9BrF2N2O/c10-6-1-3-7(4-2-6)14(13)9(15)5-8(11)12/h1-4,8H,5,13H2
InChIKeySBONPAKXTPVZFB-UHFFFAOYSA-N
MW279.08 g/mol
LogP2.31
Rot. Bonds3

About N-(4-bromophenyl)-3,3-difluoropropanehydrazide

N-(4-bromophenyl)-3,3-difluoropropanehydrazide (PubChem CID 175715890) has the molecular formula C9H9BrF2N2O and a molecular weight of 279.08 g/mol. Its IUPAC name is N-(4-bromophenyl)-3,3-difluoropropanehydrazide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3,3-difluoropropanehydrazide
PubChem CID175715890
Molecular FormulaC9H9BrF2N2O
Molecular Weight279.08 g/mol
Exact Mass277.99
IUPAC NameN-(4-bromophenyl)-3,3-difluoropropanehydrazide
SMILESNN(C(=O)CC(F)F)c1ccc(Br)cc1
InChIInChI=1S/C9H9BrF2N2O/c10-6-1-3-7(4-2-6)14(13)9(15)5-8(11)12/h1-4,8H,5,13H2
InChIKeySBONPAKXTPVZFB-UHFFFAOYSA-N
XLogP2.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(4-bromophenyl)urea;hydrochloride
CID 172731667
N',N'-bis(4-bromophenyl)oxamide
CID 154267801
1,3-diamino-1-(4-bromophenyl)-3-(1-phenylethyl)urea
CID 146417690
ethyl N-(4-bromophenyl)-N-methylcarbamate
CID 131862849
ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate
CID 125041350
2-bromo-N-(4-bromophenyl)-N-methylacetamide
CID 174990155
N-(4-bromophenyl)-N-hydroxypropanamide
CID 165357463
3-(4-bromo-N-methylanilino)butanoic acid
CID 82123920
4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide
CID 115611577
ethyl 2-(4-bromo-N-methylanilino)acetate
CID 102265686
3-amino-N-(4-bromophenyl)-N-ethylpropanamide
CID 28795394
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3,3-difluoropropanehydrazide?
The IUPAC name of N-(4-bromophenyl)-3,3-difluoropropanehydrazide (CID 175715890) is N-(4-bromophenyl)-3,3-difluoropropanehydrazide.
What is the SMILES notation for N-(4-bromophenyl)-3,3-difluoropropanehydrazide?
The canonical SMILES for N-(4-bromophenyl)-3,3-difluoropropanehydrazide is NN(C(=O)CC(F)F)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3,3-difluoropropanehydrazide?
The InChIKey is SBONPAKXTPVZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2O/c10-6-1-3-7(4-2-6)14(13)9(15)5-8(11)12/h1-4,8H,5,13H2.
What are the key properties of N-(4-bromophenyl)-3,3-difluoropropanehydrazide?
N-(4-bromophenyl)-3,3-difluoropropanehydrazide has a molecular weight of 279.08 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3,3-difluoropropanehydrazide is sourced from PubChem (CID 175715890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).