N-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide

C13H16Cl2N2O — CID 88673856

IUPACN-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide
SMILESCCCCC(=NNC(C)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O/c1-3-4-5-13(17-16-9(2)18)11-7-6-10(14)8-12(11)15/h6-8H,3-5H2,1-2H3,(H,16,18)
InChIKeyPFPCPFPQNQOHFK-UHFFFAOYSA-N
MW287.19 g/mol
LogP4.02
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide

N-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide (PubChem CID 88673856) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide
PubChem CID88673856
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC NameN-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide
SMILESCCCCC(=NNC(C)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O/c1-3-4-5-13(17-16-9(2)18)11-7-6-10(14)8-12(11)15/h6-8H,3-5H2,1-2H3,(H,16,18)
InChIKeyPFPCPFPQNQOHFK-UHFFFAOYSA-N
XLogP4.02
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

N-[1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 4154549
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 6023036
N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide
CID 4181307
1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide
CID 6300945
2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide
CID 6258918
2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120
1-(2,4-dichlorophenyl)decane-1,3-dione
CID 43321487
[(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate
CID 171982927
4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide
CID 3681131
N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 6011612
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
CID 19685167

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide (CID 88673856) is N-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide is CCCCC(=NNC(C)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide?
The InChIKey is PFPCPFPQNQOHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-3-4-5-13(17-16-9(2)18)11-7-6-10(14)8-12(11)15/h6-8H,3-5H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide?
N-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide has a molecular weight of 287.19 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide is sourced from PubChem (CID 88673856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).