2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide

C13H14Cl2N2O — CID 57404080

IUPAC2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide
SMILESO=C(N/N=C\C1CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O/c14-10-5-6-11(12(15)7-10)13(18)17-16-8-9-3-1-2-4-9/h5-9H,1-4H2,(H,17,18)/b16-8-
InChIKeyPXFWQPBAVCNEFB-PXNMLYILSA-N
MW285.17 g/mol
LogP3.90
Rot. Bonds3

About 2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide

2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide (PubChem CID 57404080) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide
PubChem CID57404080
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide
SMILESO=C(N/N=C\C1CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O/c14-10-5-6-11(12(15)7-10)13(18)17-16-8-9-3-1-2-4-9/h5-9H,1-4H2,(H,17,18)/b16-8-
InChIKeyPXFWQPBAVCNEFB-PXNMLYILSA-N
XLogP3.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.90
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-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2,4-dichlorobenzamide
CID 129438748
2,4-dichloro-N-(ethylideneamino)benzamide
CID 3608480
2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide
CID 50854202
N-(2-aminocyclohexyl)-2,4-dichlorobenzamide
CID 54905526
2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide
CID 94101556
2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136661445
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide
CID 126007261
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide
CID 136904981
2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3752825
methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 3281330
2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 5070346

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide (CID 57404080) is 2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide is O=C(N/N=C\C1CCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide?
The InChIKey is PXFWQPBAVCNEFB-PXNMLYILSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c14-10-5-6-11(12(15)7-10)13(18)17-16-8-9-3-1-2-4-9/h5-9H,1-4H2,(H,17,18)/b16-8-.
What are the key properties of 2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide?
2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide has a molecular weight of 285.17 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide is sourced from PubChem (CID 57404080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).