2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide

C16H14Cl2N2O — CID 3567805

IUPAC2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1ccccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c1-2-15(11-6-5-7-12(17)10-11)19-20-16(21)13-8-3-4-9-14(13)18/h3-10H,2H2,1H3,(H,20,21)
InChIKeyFZCNXLHJUBBVDY-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.54
Rot. Bonds4

About 2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide

2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide (PubChem CID 3567805) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
PubChem CID3567805
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1ccccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c1-2-15(11-6-5-7-12(17)10-11)19-20-16(21)13-8-3-4-9-14(13)18/h3-10H,2H2,1H3,(H,20,21)
InChIKeyFZCNXLHJUBBVDY-UHFFFAOYSA-N
XLogP4.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.54
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-[1-(3-chlorophenyl)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

3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 4256209
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
2-chloro-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4195749
N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide
CID 4284315
2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide
CID 6258037
3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134
N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6241485
2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4096350
2-chloro-N-(pentan-3-ylideneamino)benzamide
CID 4620662
N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
CID 4168885
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide (CID 3567805) is 2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide is CCC(=NNC(=O)c1ccccc1Cl)c1cccc(Cl)c1.
What is the InChIKey of 2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide?
The InChIKey is FZCNXLHJUBBVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-2-15(11-6-5-7-12(17)10-11)19-20-16(21)13-8-3-4-9-14(13)18/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of 2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide?
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide has a molecular weight of 321.21 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide is sourced from PubChem (CID 3567805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).