2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide

C10H11Cl2N3O2 — CID 135493715

IUPAC2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide
SMILESCO/N=C(\N)NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C10H11Cl2N3O2/c1-17-15-10(13)14-9(16)5-6-7(11)3-2-4-8(6)12/h2-4H,5H2,1H3,(H3,13,14,15,16)
InChIKeyUMDUBYFKDAYTJW-UHFFFAOYSA-N
MW276.12 g/mol
LogP1.53
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide

2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide (PubChem CID 135493715) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide
PubChem CID135493715
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC Name2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide
SMILESCO/N=C(\N)NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C10H11Cl2N3O2/c1-17-15-10(13)14-9(16)5-6-7(11)3-2-4-8(6)12/h2-4H,5H2,1H3,(H3,13,14,15,16)
InChIKeyUMDUBYFKDAYTJW-UHFFFAOYSA-N
XLogP1.53
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 51.53
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-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide
CID 135405955
2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide
CID 12728425
2-(2-chloro-6-methylphenyl)-N-(N'-ethylcarbamimidoyl)acetamide
CID 54505860
1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride
CID 158055964
(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl N-[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]carbamate
CID 77177259
diethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate
CID 17435918
N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide
CID 171391513
ethyl N-[N-[2-(2,6-dichlorophenyl)acetyl]carbamimidoyl]carbamate
CID 135565040
(2S,5S)-5-amino-2-[(1R)-1-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]carbamoyloxy]ethyl]-6-methyl-4-oxoheptanoic acid
CID 123489469
(2R,5R)-5-amino-2-[3-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-3-oxopropyl]-4-oxohexanoic acid
CID 58193311
N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride
CID 66686682
[2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 8001276

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide (CID 135493715) is 2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide is CO/N=C(\N)NC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide?
The InChIKey is UMDUBYFKDAYTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c1-17-15-10(13)14-9(16)5-6-7(11)3-2-4-8(6)12/h2-4H,5H2,1H3,(H3,13,14,15,16).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide?
2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide has a molecular weight of 276.12 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide is sourced from PubChem (CID 135493715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).