2-chloro-N-[(Z)-1-phenylbutylideneamino]benzamide

C17H17ClN2O — CID 6526242

IUPAC2-chloro-N-[(Z)-1-phenylbutylideneamino]benzamide
SMILESCCC/C(=N/NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H17ClN2O/c1-2-8-16(13-9-4-3-5-10-13)19-20-17(21)14-11-6-7-12-15(14)18/h3-7,9-12H,2,8H2,1H3,(H,20,21)/b19-16-
InChIKeySEMYBFRPSDKIKA-MNDPQUGUSA-N
MW300.79 g/mol
LogP4.27
Rot. Bonds5

About 2-chloro-N-[(Z)-1-phenylbutylideneamino]benzamide

2-chloro-N-[(Z)-1-phenylbutylideneamino]benzamide (PubChem CID 6526242) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-1-phenylbutylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-1-phenylbutylideneamino]benzamide
PubChem CID6526242
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-chloro-N-[(Z)-1-phenylbutylideneamino]benzamide
SMILESCCC/C(=N/NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H17ClN2O/c1-2-8-16(13-9-4-3-5-10-13)19-20-17(21)14-11-6-7-12-15(14)18/h3-7,9-12H,2,8H2,1H3,(H,20,21)/b19-16-
InChIKeySEMYBFRPSDKIKA-MNDPQUGUSA-N
XLogP4.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.27
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'}

Analyze 2-chloro-N-[(Z)-1-phenylbutylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-1-phenylbutylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-1-phenylbutylideneamino]benzamide (CID 6526242) is 2-chloro-N-[(Z)-1-phenylbutylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-1-phenylbutylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-1-phenylbutylideneamino]benzamide is CCC/C(=N/NC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[(Z)-1-phenylbutylideneamino]benzamide?
The InChIKey is SEMYBFRPSDKIKA-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-2-8-16(13-9-4-3-5-10-13)19-20-17(21)14-11-6-7-12-15(14)18/h3-7,9-12H,2,8H2,1H3,(H,20,21)/b19-16-.
What are the key properties of 2-chloro-N-[(Z)-1-phenylbutylideneamino]benzamide?
2-chloro-N-[(Z)-1-phenylbutylideneamino]benzamide has a molecular weight of 300.79 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-1-phenylbutylideneamino]benzamide is sourced from PubChem (CID 6526242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).