N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide

C11H11ClN4O — CID 10634467

IUPACN-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide
SMILESN#CC/C(N)=N\NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN4O/c12-9-3-1-8(2-4-9)7-11(17)16-15-10(14)5-6-13/h1-4H,5,7H2,(H2,14,15)(H,16,17)
InChIKeyVVRGEPMKSLTXPO-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.18
Rot. Bonds4

About N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide

N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide (PubChem CID 10634467) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide
PubChem CID10634467
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC NameN-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide
SMILESN#CC/C(N)=N\NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN4O/c12-9-3-1-8(2-4-9)7-11(17)16-15-10(14)5-6-13/h1-4H,5,7H2,(H2,14,15)(H,16,17)
InChIKeyVVRGEPMKSLTXPO-UHFFFAOYSA-N
XLogP1.18
TPSA91.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-(cyanomethyl)acetamide
CID 4630629
2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6390102
N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide
CID 124890840
2-(4-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135531709
2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide
CID 55209733
N-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide
CID 27521635
2-(4-chlorophenyl)-N-(cyclohexylideneamino)acetamide
CID 4938145
3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide
CID 108922560
2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide
CID 15457246
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide
CID 27524437
(3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6369433

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide (CID 10634467) is N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide is N#CC/C(N)=N\NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide?
The InChIKey is VVRGEPMKSLTXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c12-9-3-1-8(2-4-9)7-11(17)16-15-10(14)5-6-13/h1-4H,5,7H2,(H2,14,15)(H,16,17).
What are the key properties of N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide?
N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide has a molecular weight of 250.69 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 10634467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).