N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide

C10H10Cl2N2O — CID 154646210

IUPACN-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide
SMILESCCC(=O)N/N=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2N2O/c1-2-9(15)14-13-6-7-4-3-5-8(11)10(7)12/h3-6H,2H2,1H3,(H,14,15)/b13-6+
InChIKeyGNKBJVDVYVZYKY-AWNIVKPZSA-N
MW245.11 g/mol
LogP2.85
Rot. Bonds3

About N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide

N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide (PubChem CID 154646210) has the molecular formula C10H10Cl2N2O and a molecular weight of 245.11 g/mol. Its IUPAC name is N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide
PubChem CID154646210
Molecular FormulaC10H10Cl2N2O
Molecular Weight245.11 g/mol
Exact Mass244.02
IUPAC NameN-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide
SMILESCCC(=O)N/N=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2N2O/c1-2-9(15)14-13-6-7-4-3-5-8(11)10(7)12/h3-6H,2H2,1H3,(H,14,15)/b13-6+
InChIKeyGNKBJVDVYVZYKY-AWNIVKPZSA-N
XLogP2.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 52.85
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'}

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Related Compounds

N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 171981130
N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 872216
2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 45055184
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428711
N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 5033974
N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide
CID 9351462
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 11573346
N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3322894
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 6874265
4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3496807
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide?
The IUPAC name of N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide (CID 154646210) is N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide.
What is the SMILES notation for N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide?
The canonical SMILES for N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide is CCC(=O)N/N=C/c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide?
The InChIKey is GNKBJVDVYVZYKY-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H10Cl2N2O/c1-2-9(15)14-13-6-7-4-3-5-8(11)10(7)12/h3-6H,2H2,1H3,(H,14,15)/b13-6+.
What are the key properties of N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide?
N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide has a molecular weight of 245.11 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide is sourced from PubChem (CID 154646210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).