2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide

C9H16F2N4O — CID 120663324

IUPAC2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide
SMILESC/N=C(\NCC(=O)NCC(F)F)NC1CC1
InChIInChI=1S/C9H16F2N4O/c1-12-9(15-6-2-3-6)14-5-8(16)13-4-7(10)11/h6-7H,2-5H2,1H3,(H,13,16)(H2,12,14,15)
InChIKeyYBGHJODJHQWXHP-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.30
Rot. Bonds5

About 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide

2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide (PubChem CID 120663324) has the molecular formula C9H16F2N4O and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide
PubChem CID120663324
Molecular FormulaC9H16F2N4O
Molecular Weight234.25 g/mol
Exact Mass234.13
IUPAC Name2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide
SMILESC/N=C(\NCC(=O)NCC(F)F)NC1CC1
InChIInChI=1S/C9H16F2N4O/c1-12-9(15-6-2-3-6)14-5-8(16)13-4-7(10)11/h6-7H,2-5H2,1H3,(H,13,16)(H2,12,14,15)
InChIKeyYBGHJODJHQWXHP-UHFFFAOYSA-N
XLogP-0.30
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
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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Related Compounds

N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide
CID 110934905
2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide
CID 119116667
2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158353
N-(2-methoxyethyl)-2-[[N'-methyl-N-(4-methylcyclohexyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111255614
2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide
CID 110934385
1-cyclohexyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 119115673
2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158319
N-(4-fluorophenyl)-2-[[N'-methyl-N-(4-methylcyclohexyl)carbamimidoyl]amino]acetamide
CID 111257049
1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine
CID 130774185
N-tert-butyl-2-[[N'-methyl-N-(3-methylsulfanylcyclopentyl)carbamimidoyl]amino]acetamide
CID 111529183
N-tert-butyl-2-[[N'-methyl-N-(3-methylsulfanylcyclopentyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111529182
1-(2,2-difluoroethyl)-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109438875

Frequently Asked Questions

What is the IUPAC name of 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide?
The IUPAC name of 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide (CID 120663324) is 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide.
What is the SMILES notation for 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide?
The canonical SMILES for 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide is C/N=C(\NCC(=O)NCC(F)F)NC1CC1.
What is the InChIKey of 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide?
The InChIKey is YBGHJODJHQWXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N4O/c1-12-9(15-6-2-3-6)14-5-8(16)13-4-7(10)11/h6-7H,2-5H2,1H3,(H,13,16)(H2,12,14,15).
What are the key properties of 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide?
2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide has a molecular weight of 234.25 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide is sourced from PubChem (CID 120663324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).