N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide

C9H8Cl2N2O — CID 6162520

IUPACN-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2N2O/c1-6(14)13-12-5-7-2-3-8(10)4-9(7)11/h2-5H,1H3,(H,13,14)/b12-5-
InChIKeyKOILOACRBBDOAY-XGICHPGQSA-N
MW231.08 g/mol
LogP2.46
Rot. Bonds2

About N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide (PubChem CID 6162520) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
PubChem CID6162520
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2N2O/c1-6(14)13-12-5-7-2-3-8(10)4-9(7)11/h2-5H,1H3,(H,13,14)/b12-5-
InChIKeyKOILOACRBBDOAY-XGICHPGQSA-N
XLogP2.46
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 52.46
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

[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 19168494
acetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide
CID 20849549
N-[(2,4-dichlorophenyl)methylideneamino]methanamine
CID 67650124
N-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 7036505
N-cyclopropyl-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 6150186
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836336
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide (CID 6162520) is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide is CC(=O)N/N=C\c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is KOILOACRBBDOAY-XGICHPGQSA-N. The full InChI is InChI=1S/C9H8Cl2N2O/c1-6(14)13-12-5-7-2-3-8(10)4-9(7)11/h2-5H,1H3,(H,13,14)/b12-5-.
What are the key properties of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide?
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 231.08 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6162520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).