5-chloro-N-(cyclopentylideneamino)-2-methoxybenzamide

C13H15ClN2O2 — CID 903028

IUPAC5-chloro-N-(cyclopentylideneamino)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NN=C1CCCC1
InChIInChI=1S/C13H15ClN2O2/c1-18-12-7-6-9(14)8-11(12)13(17)16-15-10-4-2-3-5-10/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyYCGAQAQLLLVFIC-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.01
Rot. Bonds3

About 5-chloro-N-(cyclopentylideneamino)-2-methoxybenzamide

5-chloro-N-(cyclopentylideneamino)-2-methoxybenzamide (PubChem CID 903028) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 5-chloro-N-(cyclopentylideneamino)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(cyclopentylideneamino)-2-methoxybenzamide
PubChem CID903028
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name5-chloro-N-(cyclopentylideneamino)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NN=C1CCCC1
InChIInChI=1S/C13H15ClN2O2/c1-18-12-7-6-9(14)8-11(12)13(17)16-15-10-4-2-3-5-10/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyYCGAQAQLLLVFIC-UHFFFAOYSA-N
XLogP3.01
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.01
H-Bond Donors ≤ 51
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 5-chloro-N-(cyclopentylideneamino)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(cyclopentylideneamino)-2-methoxybenzamide (CID 903028) is 5-chloro-N-(cyclopentylideneamino)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(cyclopentylideneamino)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(cyclopentylideneamino)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NN=C1CCCC1.
What is the InChIKey of 5-chloro-N-(cyclopentylideneamino)-2-methoxybenzamide?
The InChIKey is YCGAQAQLLLVFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-18-12-7-6-9(14)8-11(12)13(17)16-15-10-4-2-3-5-10/h6-8H,2-5H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-(cyclopentylideneamino)-2-methoxybenzamide?
5-chloro-N-(cyclopentylideneamino)-2-methoxybenzamide has a molecular weight of 266.73 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclopentylideneamino)-2-methoxybenzamide is sourced from PubChem (CID 903028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).