N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide

C11H11F2N3O2 — CID 43146653

IUPACN-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide
SMILESN#CCNC(=O)CNc1ccccc1OC(F)F
InChIInChI=1S/C11H11F2N3O2/c12-11(13)18-9-4-2-1-3-8(9)16-7-10(17)15-6-5-14/h1-4,11,16H,6-7H2,(H,15,17)
InChIKeyCNXVYWWBUGELTG-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.34
Rot. Bonds6

About N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide

N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide (PubChem CID 43146653) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide
PubChem CID43146653
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC NameN-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide
SMILESN#CCNC(=O)CNc1ccccc1OC(F)F
InChIInChI=1S/C11H11F2N3O2/c12-11(13)18-9-4-2-1-3-8(9)16-7-10(17)15-6-5-14/h1-4,11,16H,6-7H2,(H,15,17)
InChIKeyCNXVYWWBUGELTG-UHFFFAOYSA-N
XLogP1.34
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(difluoromethoxy)anilino]-N-(ethylcarbamoyl)acetamide
CID 26525960
2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 37480115
2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide
CID 31669319
methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate
CID 34075412
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide
CID 51108580
2-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9102880
2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide
CID 114291079
2-[2-(2-chlorophenoxy)anilino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 35822670
2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone
CID 43217747
butyl 2-[2-(difluoromethoxy)anilino]acetate
CID 60679734
1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone
CID 43217745

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide (CID 43146653) is N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide is N#CCNC(=O)CNc1ccccc1OC(F)F.
What is the InChIKey of N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide?
The InChIKey is CNXVYWWBUGELTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c12-11(13)18-9-4-2-1-3-8(9)16-7-10(17)15-6-5-14/h1-4,11,16H,6-7H2,(H,15,17).
What are the key properties of N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide?
N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide has a molecular weight of 255.22 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide is sourced from PubChem (CID 43146653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).