N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide

C13H10BrF2N3O — CID 63186774

IUPACN-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESNNc1c(F)cc(C(=O)Nc2cccc(Br)c2)cc1F
InChIInChI=1S/C13H10BrF2N3O/c14-8-2-1-3-9(6-8)18-13(20)7-4-10(15)12(19-17)11(16)5-7/h1-6,19H,17H2,(H,18,20)
InChIKeyPBGIKDDZYCUMNT-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.27
Rot. Bonds3

About N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide

N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide (PubChem CID 63186774) has the molecular formula C13H10BrF2N3O and a molecular weight of 342.14 g/mol. Its IUPAC name is N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide
PubChem CID63186774
Molecular FormulaC13H10BrF2N3O
Molecular Weight342.14 g/mol
Exact Mass341.00
IUPAC NameN-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESNNc1c(F)cc(C(=O)Nc2cccc(Br)c2)cc1F
InChIInChI=1S/C13H10BrF2N3O/c14-8-2-1-3-9(6-8)18-13(20)7-4-10(15)12(19-17)11(16)5-7/h1-6,19H,17H2,(H,18,20)
InChIKeyPBGIKDDZYCUMNT-UHFFFAOYSA-N
XLogP3.27
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-N-(3-fluorophenyl)-4-hydrazinylbenzamide
CID 63186687
3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide
CID 63186134
N-(3-bromophenyl)-3,5-difluorobenzamide
CID 3660841
N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186568
N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63185694
3,5-difluoro-4-hydrazinyl-N-pyridin-3-ylbenzamide
CID 55158095
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 65499076
N-(3-bromophenyl)-4-fluoro-3-methylbenzamide
CID 63210603
N-(2-bromo-3-chlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 103481479
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-(3-bromophenyl)-3-fluoro-4-methyl-5-nitrobenzamide
CID 46487800

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The IUPAC name of N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide (CID 63186774) is N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide.
What is the SMILES notation for N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The canonical SMILES for N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide is NNc1c(F)cc(C(=O)Nc2cccc(Br)c2)cc1F.
What is the InChIKey of N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The InChIKey is PBGIKDDZYCUMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2N3O/c14-8-2-1-3-9(6-8)18-13(20)7-4-10(15)12(19-17)11(16)5-7/h1-6,19H,17H2,(H,18,20).
What are the key properties of N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide?
N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide has a molecular weight of 342.14 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide is sourced from PubChem (CID 63186774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).