4-chloro-N-(cyclopentylideneamino)benzamide

C12H13ClN2O — CID 774234

IUPAC4-chloro-N-(cyclopentylideneamino)benzamide
SMILESO=C(NN=C1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c13-10-7-5-9(6-8-10)12(16)15-14-11-3-1-2-4-11/h5-8H,1-4H2,(H,15,16)
InChIKeyGZKYOKRGPTXXIJ-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.00
Rot. Bonds2

About 4-chloro-N-(cyclopentylideneamino)benzamide

4-chloro-N-(cyclopentylideneamino)benzamide (PubChem CID 774234) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 4-chloro-N-(cyclopentylideneamino)benzamide.

Molecular Properties

Compound Name4-chloro-N-(cyclopentylideneamino)benzamide
PubChem CID774234
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name4-chloro-N-(cyclopentylideneamino)benzamide
SMILESO=C(NN=C1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c13-10-7-5-9(6-8-10)12(16)15-14-11-3-1-2-4-11/h5-8H,1-4H2,(H,15,16)
InChIKeyGZKYOKRGPTXXIJ-UHFFFAOYSA-N
XLogP3.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.00
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopentylideneamino)benzamide?
The IUPAC name of 4-chloro-N-(cyclopentylideneamino)benzamide (CID 774234) is 4-chloro-N-(cyclopentylideneamino)benzamide.
What is the SMILES notation for 4-chloro-N-(cyclopentylideneamino)benzamide?
The canonical SMILES for 4-chloro-N-(cyclopentylideneamino)benzamide is O=C(NN=C1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(cyclopentylideneamino)benzamide?
The InChIKey is GZKYOKRGPTXXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-10-7-5-9(6-8-10)12(16)15-14-11-3-1-2-4-11/h5-8H,1-4H2,(H,15,16).
What are the key properties of 4-chloro-N-(cyclopentylideneamino)benzamide?
4-chloro-N-(cyclopentylideneamino)benzamide has a molecular weight of 236.70 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopentylideneamino)benzamide is sourced from PubChem (CID 774234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).