2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide

C11H13Cl2N3O — CID 3021824

IUPAC2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide
SMILESCC/N=C(\N)NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2N3O/c1-2-15-11(14)16-10(17)6-7-8(12)4-3-5-9(7)13/h3-5H,2,6H2,1H3,(H3,14,15,16,17)
InChIKeyMTXRYLDKVRPTGG-UHFFFAOYSA-N
MW274.15 g/mol
LogP1.99
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide

2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide (PubChem CID 3021824) has the molecular formula C11H13Cl2N3O and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide
PubChem CID3021824
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.15 g/mol
Exact Mass273.04
IUPAC Name2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide
SMILESCC/N=C(\N)NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2N3O/c1-2-15-11(14)16-10(17)6-7-8(12)4-3-5-9(7)13/h3-5H,2,6H2,1H3,(H3,14,15,16,17)
InChIKeyMTXRYLDKVRPTGG-UHFFFAOYSA-N
XLogP1.99
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 51.99
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'}

Analyze 2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Guanfacine
CID 3519
Guanfacine Hydrochloride
CID 71401
2-(2,6-dichlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 825146
5-(2,4-dichlorophenyl)-2,2-dimethyl-2,3-dihydro-4H-imidazol-4-one
CID 3237963
N-(2,6-Dichloro-benzoyl)-N''-(4-phenyl-butyl)-guanidine
CID 22149360
Benzeneacetamide, 2,6-dichloro-N-(imino(propylamino)methyl)-
CID 3021825
Etiguanfacine
CID 135565040
2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide
CID 2807358
2-(2,6-dichlorophenyl)-N-methylacetamide
CID 7535017
N-(bis(15N)(azanyl)(113C)methylidene)-2-(2,6-dichlorophenyl)acetamide
CID 46780454
2,6-dichloro-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 2807357
2-amino-5-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
CID 135470141

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide (CID 3021824) is 2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide is CC/N=C(\N)NC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide?
The InChIKey is MTXRYLDKVRPTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O/c1-2-15-11(14)16-10(17)6-7-8(12)4-3-5-9(7)13/h3-5H,2,6H2,1H3,(H3,14,15,16,17).
What are the key properties of 2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide?
2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide has a molecular weight of 274.15 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide is sourced from PubChem (CID 3021824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).