2-[(4-chlorophenyl)methoxy]-N-(cyclopentylideneamino)benzamide

C19H19ClN2O2 — CID 3978499

IUPAC2-[(4-chlorophenyl)methoxy]-N-(cyclopentylideneamino)benzamide
SMILESO=C(NN=C1CCCC1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O2/c20-15-11-9-14(10-12-15)13-24-18-8-4-3-7-17(18)19(23)22-21-16-5-1-2-6-16/h3-4,7-12H,1-2,5-6,13H2,(H,22,23)
InChIKeyVIFHHONUVBIBPR-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.58
Rot. Bonds5

About 2-[(4-chlorophenyl)methoxy]-N-(cyclopentylideneamino)benzamide

2-[(4-chlorophenyl)methoxy]-N-(cyclopentylideneamino)benzamide (PubChem CID 3978499) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N-(cyclopentylideneamino)benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N-(cyclopentylideneamino)benzamide
PubChem CID3978499
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name2-[(4-chlorophenyl)methoxy]-N-(cyclopentylideneamino)benzamide
SMILESO=C(NN=C1CCCC1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O2/c20-15-11-9-14(10-12-15)13-24-18-8-4-3-7-17(18)19(23)22-21-16-5-1-2-6-16/h3-4,7-12H,1-2,5-6,13H2,(H,22,23)
InChIKeyVIFHHONUVBIBPR-UHFFFAOYSA-N
XLogP4.58
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.58
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 2-[(4-chlorophenyl)methoxy]-N-(cyclopentylideneamino)benzamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-(cyclopentylideneamino)benzamide (CID 3978499) is 2-[(4-chlorophenyl)methoxy]-N-(cyclopentylideneamino)benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N-(cyclopentylideneamino)benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N-(cyclopentylideneamino)benzamide is O=C(NN=C1CCCC1)c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N-(cyclopentylideneamino)benzamide?
The InChIKey is VIFHHONUVBIBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-15-11-9-14(10-12-15)13-24-18-8-4-3-7-17(18)19(23)22-21-16-5-1-2-6-16/h3-4,7-12H,1-2,5-6,13H2,(H,22,23).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N-(cyclopentylideneamino)benzamide?
2-[(4-chlorophenyl)methoxy]-N-(cyclopentylideneamino)benzamide has a molecular weight of 342.83 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N-(cyclopentylideneamino)benzamide is sourced from PubChem (CID 3978499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).