2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide

C24H30Cl2N2O2 — CID 67495537

IUPAC2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide
SMILESCCCC(N(NC(=O)c1c(Cl)cccc1Cl)C(=O)c1cc(C)cc(C)c1)C(C)(C)C
InChIInChI=1S/C24H30Cl2N2O2/c1-7-9-20(24(4,5)6)28(23(30)17-13-15(2)12-16(3)14-17)27-22(29)21-18(25)10-8-11-19(21)26/h8,10-14,20H,7,9H2,1-6H3,(H,27,29)
InChIKeyZQOVRMHKQPFDIP-UHFFFAOYSA-N
MW449.42 g/mol
LogP6.61
Rot. Bonds5

About 2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide

2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide (PubChem CID 67495537) has the molecular formula C24H30Cl2N2O2 and a molecular weight of 449.42 g/mol. Its IUPAC name is 2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide.

Molecular Properties

Compound Name2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide
PubChem CID67495537
Molecular FormulaC24H30Cl2N2O2
Molecular Weight449.42 g/mol
Exact Mass448.17
IUPAC Name2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide
SMILESCCCC(N(NC(=O)c1c(Cl)cccc1Cl)C(=O)c1cc(C)cc(C)c1)C(C)(C)C
InChIInChI=1S/C24H30Cl2N2O2/c1-7-9-20(24(4,5)6)28(23(30)17-13-15(2)12-16(3)14-17)27-22(29)21-18(25)10-8-11-19(21)26/h8,10-14,20H,7,9H2,1-6H3,(H,27,29)
InChIKeyZQOVRMHKQPFDIP-UHFFFAOYSA-N
XLogP6.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.42
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide?
The IUPAC name of 2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide (CID 67495537) is 2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide.
What is the SMILES notation for 2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide?
The canonical SMILES for 2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide is CCCC(N(NC(=O)c1c(Cl)cccc1Cl)C(=O)c1cc(C)cc(C)c1)C(C)(C)C.
What is the InChIKey of 2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide?
The InChIKey is ZQOVRMHKQPFDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O2/c1-7-9-20(24(4,5)6)28(23(30)17-13-15(2)12-16(3)14-17)27-22(29)21-18(25)10-8-11-19(21)26/h8,10-14,20H,7,9H2,1-6H3,(H,27,29).
What are the key properties of 2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide?
2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide has a molecular weight of 449.42 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide is sourced from PubChem (CID 67495537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).