3,5-dichloro-N-(cyclopentylideneamino)-2-hydroxybenzamide;hydrochloride

C12H13Cl3N2O2 — CID 23724165

IUPAC3,5-dichloro-N-(cyclopentylideneamino)-2-hydroxybenzamide;hydrochloride
SMILESCl.O=C(NN=C1CCCC1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H12Cl2N2O2.ClH/c13-7-5-9(11(17)10(14)6-7)12(18)16-15-8-3-1-2-4-8;/h5-6,17H,1-4H2,(H,16,18);1H
InChIKeyXOAQUQQSKHNLEA-UHFFFAOYSA-N
MW323.61 g/mol
LogP3.78
Rot. Bonds2

About 3,5-dichloro-N-(cyclopentylideneamino)-2-hydroxybenzamide;hydrochloride

3,5-dichloro-N-(cyclopentylideneamino)-2-hydroxybenzamide;hydrochloride (PubChem CID 23724165) has the molecular formula C12H13Cl3N2O2 and a molecular weight of 323.61 g/mol. Its IUPAC name is 3,5-dichloro-N-(cyclopentylideneamino)-2-hydroxybenzamide;hydrochloride.

Molecular Properties

Compound Name3,5-dichloro-N-(cyclopentylideneamino)-2-hydroxybenzamide;hydrochloride
PubChem CID23724165
Molecular FormulaC12H13Cl3N2O2
Molecular Weight323.61 g/mol
Exact Mass322.00
IUPAC Name3,5-dichloro-N-(cyclopentylideneamino)-2-hydroxybenzamide;hydrochloride
SMILESCl.O=C(NN=C1CCCC1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H12Cl2N2O2.ClH/c13-7-5-9(11(17)10(14)6-7)12(18)16-15-8-3-1-2-4-8;/h5-6,17H,1-4H2,(H,16,18);1H
InChIKeyXOAQUQQSKHNLEA-UHFFFAOYSA-N
XLogP3.78
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.61
LogP ≤ 53.78
H-Bond Donors ≤ 52
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 3,5-dichloro-N-(cyclopentylideneamino)-2-hydroxybenzamide;hydrochloride?
The IUPAC name of 3,5-dichloro-N-(cyclopentylideneamino)-2-hydroxybenzamide;hydrochloride (CID 23724165) is 3,5-dichloro-N-(cyclopentylideneamino)-2-hydroxybenzamide;hydrochloride.
What is the SMILES notation for 3,5-dichloro-N-(cyclopentylideneamino)-2-hydroxybenzamide;hydrochloride?
The canonical SMILES for 3,5-dichloro-N-(cyclopentylideneamino)-2-hydroxybenzamide;hydrochloride is Cl.O=C(NN=C1CCCC1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-(cyclopentylideneamino)-2-hydroxybenzamide;hydrochloride?
The InChIKey is XOAQUQQSKHNLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2.ClH/c13-7-5-9(11(17)10(14)6-7)12(18)16-15-8-3-1-2-4-8;/h5-6,17H,1-4H2,(H,16,18);1H.
What are the key properties of 3,5-dichloro-N-(cyclopentylideneamino)-2-hydroxybenzamide;hydrochloride?
3,5-dichloro-N-(cyclopentylideneamino)-2-hydroxybenzamide;hydrochloride has a molecular weight of 323.61 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(cyclopentylideneamino)-2-hydroxybenzamide;hydrochloride is sourced from PubChem (CID 23724165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).