N-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide

C9H9Cl2N3O — CID 21413966

IUPACN-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide
SMILES[H]/N=C(\N)N(C(C)=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2N3O/c1-5(15)14(9(12)13)8-6(10)3-2-4-7(8)11/h2-4H,1H3,(H3,12,13)
InChIKeyKFGNMPMBYUYTMN-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.24
Rot. Bonds1

About N-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide

N-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide (PubChem CID 21413966) has the molecular formula C9H9Cl2N3O and a molecular weight of 246.10 g/mol. Its IUPAC name is N-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide
PubChem CID21413966
Molecular FormulaC9H9Cl2N3O
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC NameN-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide
SMILES[H]/N=C(\N)N(C(C)=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2N3O/c1-5(15)14(9(12)13)8-6(10)3-2-4-7(8)11/h2-4H,1H3,(H3,12,13)
InChIKeyKFGNMPMBYUYTMN-UHFFFAOYSA-N
XLogP2.24
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide (CID 21413966) is N-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide is [H]/N=C(\N)N(C(C)=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is KFGNMPMBYUYTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O/c1-5(15)14(9(12)13)8-6(10)3-2-4-7(8)11/h2-4H,1H3,(H3,12,13).
What are the key properties of N-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide?
N-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 246.10 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 21413966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).