N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide

C14H13ClFN3O — CID 63211979

IUPACN-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1NN
InChIInChI=1S/C14H13ClFN3O/c1-8-6-9(2-5-13(8)19-17)14(20)18-10-3-4-12(16)11(15)7-10/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyGNHJDLNQWDXBNG-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.33
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide

N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide (PubChem CID 63211979) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
PubChem CID63211979
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1NN
InChIInChI=1S/C14H13ClFN3O/c1-8-6-9(2-5-13(8)19-17)14(20)18-10-3-4-12(16)11(15)7-10/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyGNHJDLNQWDXBNG-UHFFFAOYSA-N
XLogP3.33
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.33
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-fluoro-3-methylbenzamide;formaldehyde
CID 144890602
N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 83074778
N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide
CID 107632237
4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide
CID 63212288
4-hydrazinyl-N-(4-iodophenyl)-3-methylbenzamide
CID 55162482
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide
CID 115736624
N-(2-bromo-4-chlorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 81275140
3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
CID 46778692
N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104728259
N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210412
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide (CID 63211979) is N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide is Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1NN.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide?
The InChIKey is GNHJDLNQWDXBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-8-6-9(2-5-13(8)19-17)14(20)18-10-3-4-12(16)11(15)7-10/h2-7,19H,17H2,1H3,(H,18,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide?
N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide has a molecular weight of 293.73 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide is sourced from PubChem (CID 63211979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).