N-[5-(2-chlorophenyl)-4-(4-chlorophenyl)-2-pyridinyl]-2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetohydrazide

C26H19Cl2F3N4O — CID 68690859

IUPACN-[5-(2-chlorophenyl)-4-(4-chlorophenyl)-2-pyridinyl]-2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetohydrazide
SMILESCc1nc(C(F)(F)F)ccc1CC(=O)N(N)c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)cn1
InChIInChI=1S/C26H19Cl2F3N4O/c1-15-17(8-11-23(34-15)26(29,30)31)12-25(36)35(32)24-13-20(16-6-9-18(27)10-7-16)21(14-33-24)19-4-2-3-5-22(19)28/h2-11,13-14H,12,32H2,1H3
InChIKeyDZAZWJJVALRZLC-UHFFFAOYSA-N
MW531.37 g/mol
LogP6.89
Rot. Bonds5

About N-[5-(2-chlorophenyl)-4-(4-chlorophenyl)-2-pyridinyl]-2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetohydrazide

N-[5-(2-chlorophenyl)-4-(4-chlorophenyl)-2-pyridinyl]-2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetohydrazide (PubChem CID 68690859) has the molecular formula C26H19Cl2F3N4O and a molecular weight of 531.37 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-4-(4-chlorophenyl)-2-pyridinyl]-2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetohydrazide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-4-(4-chlorophenyl)-2-pyridinyl]-2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetohydrazide
PubChem CID68690859
Molecular FormulaC26H19Cl2F3N4O
Molecular Weight531.37 g/mol
Exact Mass530.09
IUPAC NameN-[5-(2-chlorophenyl)-4-(4-chlorophenyl)-2-pyridinyl]-2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetohydrazide
SMILESCc1nc(C(F)(F)F)ccc1CC(=O)N(N)c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)cn1
InChIInChI=1S/C26H19Cl2F3N4O/c1-15-17(8-11-23(34-15)26(29,30)31)12-25(36)35(32)24-13-20(16-6-9-18(27)10-7-16)21(14-33-24)19-4-2-3-5-22(19)28/h2-11,13-14H,12,32H2,1H3
InChIKeyDZAZWJJVALRZLC-UHFFFAOYSA-N
XLogP6.89
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.37
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-4-(4-chlorophenyl)-2-pyridinyl]-2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetohydrazide?
The IUPAC name of N-[5-(2-chlorophenyl)-4-(4-chlorophenyl)-2-pyridinyl]-2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetohydrazide (CID 68690859) is N-[5-(2-chlorophenyl)-4-(4-chlorophenyl)-2-pyridinyl]-2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetohydrazide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-4-(4-chlorophenyl)-2-pyridinyl]-2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetohydrazide?
The canonical SMILES for N-[5-(2-chlorophenyl)-4-(4-chlorophenyl)-2-pyridinyl]-2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetohydrazide is Cc1nc(C(F)(F)F)ccc1CC(=O)N(N)c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)cn1.
What is the InChIKey of N-[5-(2-chlorophenyl)-4-(4-chlorophenyl)-2-pyridinyl]-2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetohydrazide?
The InChIKey is DZAZWJJVALRZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2F3N4O/c1-15-17(8-11-23(34-15)26(29,30)31)12-25(36)35(32)24-13-20(16-6-9-18(27)10-7-16)21(14-33-24)19-4-2-3-5-22(19)28/h2-11,13-14H,12,32H2,1H3.
What are the key properties of N-[5-(2-chlorophenyl)-4-(4-chlorophenyl)-2-pyridinyl]-2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetohydrazide?
N-[5-(2-chlorophenyl)-4-(4-chlorophenyl)-2-pyridinyl]-2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetohydrazide has a molecular weight of 531.37 g/mol, XLogP of 6.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-4-(4-chlorophenyl)-2-pyridinyl]-2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetohydrazide is sourced from PubChem (CID 68690859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).