N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide

C14H13ClIN3O — CID 107632237

IUPACN-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2I)ccc1NN
InChIInChI=1S/C14H13ClIN3O/c1-8-6-9(2-4-12(8)19-17)14(20)18-13-5-3-10(15)7-11(13)16/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyBEHOBEYPOKPGAH-UHFFFAOYSA-N
MW401.64 g/mol
LogP3.79
Rot. Bonds3

About N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide

N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide (PubChem CID 107632237) has the molecular formula C14H13ClIN3O and a molecular weight of 401.64 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide
PubChem CID107632237
Molecular FormulaC14H13ClIN3O
Molecular Weight401.64 g/mol
Exact Mass400.98
IUPAC NameN-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2I)ccc1NN
InChIInChI=1S/C14H13ClIN3O/c1-8-6-9(2-4-12(8)19-17)14(20)18-13-5-3-10(15)7-11(13)16/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyBEHOBEYPOKPGAH-UHFFFAOYSA-N
XLogP3.79
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.64
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-chlorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 81275140
N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104728259
N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 63211979
4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide
CID 63212288
4-hydrazinyl-N-(4-iodophenyl)-3-methylbenzamide
CID 55162482
4-tert-butyl-N-(4-chloro-2-iodophenyl)benzamide
CID 107640588
N-(2-bromo-5-chloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104725197
N-(4-chloro-2-iodophenyl)-2,4-dimethylbenzamide
CID 113257834
4-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzamide
CID 107625383
N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 83074778
N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63211678
4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide
CID 107626139

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide (CID 107632237) is N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide is Cc1cc(C(=O)Nc2ccc(Cl)cc2I)ccc1NN.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide?
The InChIKey is BEHOBEYPOKPGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClIN3O/c1-8-6-9(2-4-12(8)19-17)14(20)18-13-5-3-10(15)7-11(13)16/h2-7,19H,17H2,1H3,(H,18,20).
What are the key properties of N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide?
N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide has a molecular weight of 401.64 g/mol, XLogP of 3.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide is sourced from PubChem (CID 107632237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).