N-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide

C18H27Cl2N3O — CID 155350283

IUPACN-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide
SMILESCCCCN(C)/N=C(\CC)CCN(C)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H27Cl2N3O/c1-5-7-11-23(4)21-15(6-2)10-12-22(3)18(24)14-8-9-16(19)17(20)13-14/h8-9,13H,5-7,10-12H2,1-4H3/b21-15+
InChIKeyCNYGKQGNBZIDOP-RCCKNPSSSA-N
MW372.34 g/mol
LogP4.95
Rot. Bonds9

About N-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide

N-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide (PubChem CID 155350283) has the molecular formula C18H27Cl2N3O and a molecular weight of 372.34 g/mol. Its IUPAC name is N-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide
PubChem CID155350283
Molecular FormulaC18H27Cl2N3O
Molecular Weight372.34 g/mol
Exact Mass371.15
IUPAC NameN-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide
SMILESCCCCN(C)/N=C(\CC)CCN(C)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H27Cl2N3O/c1-5-7-11-23(4)21-15(6-2)10-12-22(3)18(24)14-8-9-16(19)17(20)13-14/h8-9,13H,5-7,10-12H2,1-4H3/b21-15+
InChIKeyCNYGKQGNBZIDOP-RCCKNPSSSA-N
XLogP4.95
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide?
The IUPAC name of N-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide (CID 155350283) is N-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide.
What is the SMILES notation for N-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide?
The canonical SMILES for N-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide is CCCCN(C)/N=C(\CC)CCN(C)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide?
The InChIKey is CNYGKQGNBZIDOP-RCCKNPSSSA-N. The full InChI is InChI=1S/C18H27Cl2N3O/c1-5-7-11-23(4)21-15(6-2)10-12-22(3)18(24)14-8-9-16(19)17(20)13-14/h8-9,13H,5-7,10-12H2,1-4H3/b21-15+.
What are the key properties of N-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide?
N-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide has a molecular weight of 372.34 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide is sourced from PubChem (CID 155350283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).