N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide

C17H17ClN2O2 — CID 9215445

IUPACN-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N/N=C\c2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12(2)22-15-9-7-13(8-10-15)17(21)20-19-11-14-5-3-4-6-16(14)18/h3-12H,1-2H3,(H,20,21)/b19-11-
InChIKeyAUOPRYPHIHCSOP-ODLFYWEKSA-N
MW316.79 g/mol
LogP3.89
Rot. Bonds5

About N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide

N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide (PubChem CID 9215445) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
PubChem CID9215445
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N/N=C\c2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12(2)22-15-9-7-13(8-10-15)17(21)20-19-11-14-5-3-4-6-16(14)18/h3-12H,1-2H3,(H,20,21)/b19-11-
InChIKeyAUOPRYPHIHCSOP-ODLFYWEKSA-N
XLogP3.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.89
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 N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide (CID 9215445) is N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N/N=C\c2ccccc2Cl)cc1.
What is the InChIKey of N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide?
The InChIKey is AUOPRYPHIHCSOP-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12(2)22-15-9-7-13(8-10-15)17(21)20-19-11-14-5-3-4-6-16(14)18/h3-12H,1-2H3,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide?
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide has a molecular weight of 316.79 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 9215445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).