N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide

C14H12Cl2FN3O — CID 83074778

IUPACN-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2c(Cl)cc(F)cc2Cl)ccc1NN
InChIInChI=1S/C14H12Cl2FN3O/c1-7-4-8(2-3-12(7)20-18)14(21)19-13-10(15)5-9(17)6-11(13)16/h2-6,20H,18H2,1H3,(H,19,21)
InChIKeyYZCGKULGHJKMJZ-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.98
Rot. Bonds3

About N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide

N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide (PubChem CID 83074778) has the molecular formula C14H12Cl2FN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
PubChem CID83074778
Molecular FormulaC14H12Cl2FN3O
Molecular Weight328.17 g/mol
Exact Mass327.03
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2c(Cl)cc(F)cc2Cl)ccc1NN
InChIInChI=1S/C14H12Cl2FN3O/c1-7-4-8(2-3-12(7)20-18)14(21)19-13-10(15)5-9(17)6-11(13)16/h2-6,20H,18H2,1H3,(H,19,21)
InChIKeyYZCGKULGHJKMJZ-UHFFFAOYSA-N
XLogP3.98
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.98
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-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 63211979
N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104728259
4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide
CID 63212288
N-(2-bromo-5-chloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104725197
3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 83076280
N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide
CID 107632237
4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide
CID 107075861
N-(2-bromo-4-chlorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 81275140
4-hydrazinyl-N-(4-iodophenyl)-3-methylbenzamide
CID 55162482
4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide
CID 112705655
3-amino-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83081298
N-(2,6-dichloro-3-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209863

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide (CID 83074778) is N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide is Cc1cc(C(=O)Nc2c(Cl)cc(F)cc2Cl)ccc1NN.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide?
The InChIKey is YZCGKULGHJKMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN3O/c1-7-4-8(2-3-12(7)20-18)14(21)19-13-10(15)5-9(17)6-11(13)16/h2-6,20H,18H2,1H3,(H,19,21).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide?
N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide has a molecular weight of 328.17 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide is sourced from PubChem (CID 83074778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).