N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide

C10H8ClN3O — CID 709280

IUPACN-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
SMILESN#CCC(=O)NN=Cc1ccccc1Cl
InChIInChI=1S/C10H8ClN3O/c11-9-4-2-1-3-8(9)7-13-14-10(15)5-6-12/h1-4,7H,5H2,(H,14,15)
InChIKeyXDSPOYNCHBFWFL-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.70
Rot. Bonds3

About N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide

N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide (PubChem CID 709280) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
PubChem CID709280
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
SMILESN#CCC(=O)NN=Cc1ccccc1Cl
InChIInChI=1S/C10H8ClN3O/c11-9-4-2-1-3-8(9)7-13-14-10(15)5-6-12/h1-4,7H,5H2,(H,14,15)
InChIKeyXDSPOYNCHBFWFL-UHFFFAOYSA-N
XLogP1.70
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 6883998
2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 3955883
2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 739635
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428594
N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 43948440
N'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 3288979
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 3262359
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3859843
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide
CID 5414915
2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 6048140
N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4291716
2-(2-bromophenoxy)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 6083444

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide (CID 709280) is N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide is N#CCC(=O)NN=Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide?
The InChIKey is XDSPOYNCHBFWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-9-4-2-1-3-8(9)7-13-14-10(15)5-6-12/h1-4,7H,5H2,(H,14,15).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide?
N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide has a molecular weight of 221.65 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide is sourced from PubChem (CID 709280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).