N-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide

C10H11ClN4O — CID 137198212

IUPACN-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide
SMILESCC(=O)NC(N)=N/N=C\c1ccccc1Cl
InChIInChI=1S/C10H11ClN4O/c1-7(16)14-10(12)15-13-6-8-4-2-3-5-9(8)11/h2-6H,1H3,(H3,12,14,15,16)/b13-6-
InChIKeyLKWLEZDTEYSMIU-MLPAPPSSSA-N
MW238.68 g/mol
LogP1.12
Rot. Bonds2

About N-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide

N-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide (PubChem CID 137198212) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is N-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide.

Molecular Properties

Compound NameN-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide
PubChem CID137198212
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC NameN-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide
SMILESCC(=O)NC(N)=N/N=C\c1ccccc1Cl
InChIInChI=1S/C10H11ClN4O/c1-7(16)14-10(12)15-13-6-8-4-2-3-5-9(8)11/h2-6H,1H3,(H3,12,14,15,16)/b13-6-
InChIKeyLKWLEZDTEYSMIU-MLPAPPSSSA-N
XLogP1.12
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.12
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

(E)-N-[N'-[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]-3-phenylprop-2-enamide
CID 172964207
2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine
CID 140788358
2-amino-1-butoxyguanidine;1-butoxy-2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;2-chlorobenzaldehyde
CID 172950603
2-amino-1-prop-2-enoxyguanidine;2-chlorobenzaldehyde;2-[(E)-(2-chlorophenyl)methylideneamino]-1-prop-2-enoxyguanidine
CID 172929082
N-[(Z)-N,N'-bis[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide
CID 135834187
2-amino-1-(3-methylsulfonylpropoxy)guanidine;2-chlorobenzaldehyde;2-[(E)-(2-chlorophenyl)methylideneamino]-1-(3-methylsulfonylpropoxy)guanidine;methane
CID 172952183
1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine
CID 172962285
1-hydroxy-2-[(2-hydroxyphenyl)methylideneamino]guanidine
CID 142114039
(E)-(2-chlorophenyl)methylidenehydrazine;ethane
CID 144988532
N-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide
CID 154403714
N-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide
CID 135446475
2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine
CID 10060509

Frequently Asked Questions

What is the IUPAC name of N-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide?
The IUPAC name of N-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide (CID 137198212) is N-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide.
What is the SMILES notation for N-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide?
The canonical SMILES for N-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide is CC(=O)NC(N)=N/N=C\c1ccccc1Cl.
What is the InChIKey of N-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide?
The InChIKey is LKWLEZDTEYSMIU-MLPAPPSSSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-7(16)14-10(12)15-13-6-8-4-2-3-5-9(8)11/h2-6H,1H3,(H3,12,14,15,16)/b13-6-.
What are the key properties of N-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide?
N-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide has a molecular weight of 238.68 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide is sourced from PubChem (CID 137198212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).