N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide

C14H12BrF2N3O — CID 63185694

IUPACN-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESCc1cc(NC(=O)c2cc(F)c(NN)c(F)c2)ccc1Br
InChIInChI=1S/C14H12BrF2N3O/c1-7-4-9(2-3-10(7)15)19-14(21)8-5-11(16)13(20-18)12(17)6-8/h2-6,20H,18H2,1H3,(H,19,21)
InChIKeyUYBDPVQPVDEDQC-UHFFFAOYSA-N
MW356.17 g/mol
LogP3.57
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide

N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide (PubChem CID 63185694) has the molecular formula C14H12BrF2N3O and a molecular weight of 356.17 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
PubChem CID63185694
Molecular FormulaC14H12BrF2N3O
Molecular Weight356.17 g/mol
Exact Mass355.01
IUPAC NameN-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESCc1cc(NC(=O)c2cc(F)c(NN)c(F)c2)ccc1Br
InChIInChI=1S/C14H12BrF2N3O/c1-7-4-9(2-3-10(7)15)19-14(21)8-5-11(16)13(20-18)12(17)6-8/h2-6,20H,18H2,1H3,(H,19,21)
InChIKeyUYBDPVQPVDEDQC-UHFFFAOYSA-N
XLogP3.57
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 53.57
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

N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186135
N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 113244608
3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
CID 43436950
N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186774
N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide
CID 63183667
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
3,5-difluoro-N-(3-fluorophenyl)-4-hydrazinylbenzamide
CID 63186687
3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
CID 55118828
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide
CID 63186781
3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide
CID 63186134
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide (CID 63185694) is N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide is Cc1cc(NC(=O)c2cc(F)c(NN)c(F)c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The InChIKey is UYBDPVQPVDEDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N3O/c1-7-4-9(2-3-10(7)15)19-14(21)8-5-11(16)13(20-18)12(17)6-8/h2-6,20H,18H2,1H3,(H,19,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide?
N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide has a molecular weight of 356.17 g/mol, XLogP of 3.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide is sourced from PubChem (CID 63185694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).