3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide

C17H17ClN2O — CID 19685134

IUPAC3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
SMILESCC/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc(C)cc1
InChIInChI=1S/C17H17ClN2O/c1-3-16(13-9-7-12(2)8-10-13)19-20-17(21)14-5-4-6-15(18)11-14/h4-11H,3H2,1-2H3,(H,20,21)/b19-16+
InChIKeyLZYIKRQAZDVEEP-KNTRCKAVSA-N
MW300.79 g/mol
LogP4.19
Rot. Bonds4

About 3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide

3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide (PubChem CID 19685134) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
PubChem CID19685134
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
SMILESCC/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc(C)cc1
InChIInChI=1S/C17H17ClN2O/c1-3-16(13-9-7-12(2)8-10-13)19-20-17(21)14-5-4-6-15(18)11-14/h4-11H,3H2,1-2H3,(H,20,21)/b19-16+
InChIKeyLZYIKRQAZDVEEP-KNTRCKAVSA-N
XLogP4.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.19
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 3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 4256209
N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
CID 4168885
N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide
CID 3679714
N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide
CID 4284315
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 3567805
N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6241485
2-chloro-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4195749
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
CID 19685167
N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide
CID 840640
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide (CID 19685134) is 3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide is CC/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc(C)cc1.
What is the InChIKey of 3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide?
The InChIKey is LZYIKRQAZDVEEP-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-3-16(13-9-7-12(2)8-10-13)19-20-17(21)14-5-4-6-15(18)11-14/h4-11H,3H2,1-2H3,(H,20,21)/b19-16+.
What are the key properties of 3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide?
3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide has a molecular weight of 300.79 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide is sourced from PubChem (CID 19685134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).